#------------------------------------------------------------------------------
#$Date: 2016-02-21 00:03:34 +0000 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/88/2238817.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2238817
loop_
_publ_author_name
'Levytskyy, Volodymyr'
'Babizhetskyy, Volodymyr'
'Kotur, Bohdan'
'Smetana, Volodymyr'
_publ_section_title
;
Redetermination of Dy~3~Ni from single-crystal X-ray data
;
_journal_issue 11
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first i80
_journal_paper_doi 10.1107/S1600536813028717
_journal_volume 69
_journal_year 2013
_chemical_formula_iupac 'Dy3 Ni'
_chemical_formula_moiety 'Dy3 Ni'
_chemical_formula_sum 'Dy3 Ni'
_chemical_formula_weight 546.21
_chemical_name_systematic
;
Tridysprosium nickel
;
_space_group_crystal_system orthorhombic
_space_group_IT_number 62
_space_group_name_Hall '-P 2ac 2n'
_space_group_name_H-M_alt 'P n m a'
_symmetry_space_group_name_Hall '-P 2ac 2n'
_symmetry_space_group_name_H-M 'P n m a'
_atom_sites_solution_primary direct
_atom_sites_solution_secondary difmap
_audit_creation_method SHELXL-2013
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 6.863(3)
_cell_length_b 9.553(3)
_cell_length_c 6.302(2)
_cell_measurement_reflns_used 2575
_cell_measurement_temperature 293(2)
_cell_measurement_theta_max 29.52
_cell_measurement_theta_min 3.70
_cell_volume 413.2(3)
_computing_cell_refinement 'X-AREA (Stoe & Cie, 2009)'
_computing_data_collection 'X-AREA (Stoe & Cie, 2009)'
_computing_data_reduction 'X-AREA (Stoe & Cie, 2009)'
_computing_molecular_graphics 'DIAMOND (Brandenburg, 2006)'
_computing_publication_material 'publCIF (Westrip, 2010)'
_computing_structure_refinement
;
SHELXL2013 (Sheldrick, 2008) and WinGX (Farrugia,
2012)
;
_computing_structure_solution 'SIR2011 (Burla et al., 2012)'
_diffrn_ambient_temperature 293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type 'Stoe IPDS II'
_diffrn_measurement_method omega
_diffrn_radiation_type MoK\a
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.0417
_diffrn_reflns_limit_h_max 9
_diffrn_reflns_limit_h_min 0
_diffrn_reflns_limit_k_max 12
_diffrn_reflns_limit_k_min 0
_diffrn_reflns_limit_l_max 8
_diffrn_reflns_limit_l_min -8
_diffrn_reflns_number 973
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 29.642
_diffrn_reflns_theta_min 3.874
_exptl_absorpt_coefficient_mu 57.864
_exptl_absorpt_correction_T_max 0.0255
_exptl_absorpt_correction_T_min 0.0073
_exptl_absorpt_correction_type numerical
_exptl_absorpt_process_details '(X-RED; Stoe & Cie, 2009)'
_exptl_crystal_colour 'metallic gray'
_exptl_crystal_density_diffrn 8.781
_exptl_crystal_density_method 'not measured'
_exptl_crystal_description block
_exptl_crystal_F_000 904
_exptl_crystal_size_max 0.14
_exptl_crystal_size_mid 0.11
_exptl_crystal_size_min 0.10
_refine_diff_density_max 2.824
_refine_diff_density_min -2.654
_refine_ls_extinction_coef 0.00030(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method 'SHELXL2013 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref 1.120
_refine_ls_matrix_type full
_refine_ls_number_parameters 23
_refine_ls_number_reflns 582
_refine_ls_number_restraints 0
_refine_ls_restrained_S_all 1.120
_refine_ls_R_factor_all 0.0697
_refine_ls_R_factor_gt 0.0417
_refine_ls_shift/su_max 0.000
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0141P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.0485
_refine_ls_wR_factor_ref 0.0520
_reflns_number_gt 447
_reflns_number_total 582
_reflns_threshold_expression I>2\s(I)
_cod_data_source_file wm2777.cif
_cod_data_source_block I
_cod_database_code 2238817
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_hkl_checksum 1371
_shelx_hkl_file
;
0 0 1 2.61 6.76
0 0 2 225.79 4.55
0 0 3 0.15 3.12
0 0 4 213.86 3.08
0 0 5 3.99 2.72
0 0 6 260.85 2.56
0 0 7 -0.90 2.55
0 0 8 36.84 2.53
1 0 0 4.34 11.61
1 0 1 0.92 6.01
1 0 2 420.83 4.54
1 0 3 5.36 3.12
1 0 4 456.90 3.30
1 0 5 82.43 2.78
1 0 6 7.26 2.52
1 0 7 46.40 2.60
1 0 8 21.04 2.78
2 0 0 11.63 7.34
2 0 1 177.28 5.41
2 0 2 84.62 3.72
2 0 3 96.97 3.16
2 0 4 28.45 2.75
2 0 5 79.15 2.71
2 0 6 31.29 2.59
2 0 7 68.34 2.67
2 0 8 80.48 2.88
3 0 0 2.49 4.84
3 0 1 370.45 4.83
3 0 2 -0.55 3.43
3 0 3 692.62 3.84
3 0 4 3.46 2.87
3 0 5 82.66 2.72
3 0 6 44.68 2.65
3 0 7 19.26 2.71
3 0 8 5.22 2.91
4 0 0 3.48 4.06
4 0 1 651.68 4.57
4 0 2 7.27 3.41
4 0 3 3.19 2.99
4 0 4 31.39 2.92
4 0 5 171.76 2.82
4 0 6 1.85 2.75
4 0 7 97.73 2.92
5 0 0 1.47 3.93
5 0 1 2.59 3.53
5 0 2 1.73 3.63
5 0 3 121.03 3.27
5 0 4 51.33 3.00
5 0 5 90.98 2.86
5 0 6 43.24 2.95
5 0 7 5.62 3.26
6 0 0 236.05 4.33
6 0 1 4.59 3.68
6 0 2 100.28 3.39
6 0 3 14.65 3.31
6 0 4 29.53 3.12
6 0 5 10.29 3.09
6 0 6 75.41 3.37
7 0 0 2.40 3.91
7 0 1 2.91 3.88
7 0 2 317.06 4.27
7 0 3 2.05 3.42
7 0 4 107.97 3.72
7 0 5 2.33 3.69
8 0 0 91.15 4.84
8 0 1 2.22 4.31
8 0 2 53.70 4.26
8 0 3 2.36 2.45
8 0 4 14.45 4.11
9 0 2 1.74 5.78
0 1 1 0.87 6.24
0 1 2 -1.90 4.08
0 1 3 21.08 3.09
0 1 4 1.70 2.68
0 1 5 45.62 2.75
0 1 6 1.48 2.53
0 1 7 65.79 2.61
0 1 8 4.92 2.60
1 1 1 7.90 6.14
1 1 -1 5.58 6.12
1 1 2 394.82 4.55
1 1 -2 393.45 4.29
1 1 3 65.68 3.17
1 1 -3 66.43 3.04
1 1 4 15.98 2.84
1 1 -4 13.94 2.81
1 1 5 33.27 2.72
1 1 -5 31.57 2.59
1 1 6 15.79 2.53
1 1 -6 20.80 2.54
1 1 7 3.83 2.58
1 1 -7 2.90 2.44
1 1 8 14.22 2.80
1 1 -8 16.35 2.79
2 1 0 64.85 5.83
2 1 1 244.34 5.32
2 1 -1 239.44 5.52
2 1 2 88.32 3.69
2 1 -2 88.02 3.68
2 1 3 24.77 3.07
2 1 -3 18.69 3.01
2 1 4 39.81 2.84
2 1 -4 38.17 2.85
2 1 5 112.90 2.77
2 1 -5 109.34 2.74
2 1 6 36.04 2.45
2 1 -6 43.09 2.56
2 1 7 6.01 2.60
2 1 -7 1.04 2.64
2 1 8 3.94 2.81
2 1 -8 0.27 2.81
3 1 0 -5.39 4.86
3 1 1 99.27 4.56
3 1 -1 96.03 4.50
3 1 2 5.84 3.47
3 1 -2 2.87 3.53
3 1 3 26.61 3.14
3 1 -3 30.28 3.10
3 1 4 14.04 2.75
3 1 -4 15.51 2.85
3 1 5 -0.90 2.73
3 1 -5 0.35 2.54
3 1 6 61.99 2.65
3 1 -6 63.23 2.61
3 1 7 3.98 2.69
3 1 -7 9.18 2.70
3 1 8 2.95 2.90
3 1 -8 5.97 2.91
4 1 0 6.07 4.24
4 1 1 69.10 4.31
4 1 -1 72.20 3.50
4 1 2 10.04 3.58
4 1 -2 7.79 3.45
4 1 3 37.28 3.20
4 1 -3 35.77 3.19
4 1 4 22.24 2.87
4 1 -4 21.40 2.94
4 1 5 14.47 2.64
4 1 -5 12.57 2.69
4 1 6 5.66 2.66
4 1 -6 3.82 2.60
4 1 7 6.12 2.81
4 1 -7 8.60 2.82
5 1 0 2.77 3.98
5 1 1 39.92 4.29
5 1 -1 7.53 2.16
5 1 2 51.05 3.72
5 1 -2 53.36 3.67
5 1 3 100.90 3.35
5 1 -3 101.79 3.28
5 1 4 64.12 3.11
5 1 -4 63.18 3.04
5 1 5 0.97 2.72
5 1 -5 -0.18 2.84
5 1 6 5.72 2.93
5 1 -6 10.10 2.87
5 1 7 20.19 3.01
5 1 -7 18.38 3.31
6 1 0 172.07 4.30
6 1 1 7.23 3.91
6 1 -1 5.78 3.76
6 1 2 1.13 3.67
6 1 -2 4.56 3.44
6 1 3 14.96 3.52
6 1 -3 12.48 3.33
6 1 4 30.46 3.29
6 1 -4 33.49 3.17
6 1 5 6.11 3.28
6 1 -5 8.13 3.05
6 1 6 13.76 3.02
6 1 -6 13.19 3.23
7 1 0 0.60 3.70
7 1 1 3.68 4.10
7 1 -1 0.70 4.02
7 1 2 0.18 3.86
7 1 -2 1.02 3.87
7 1 -3 4.96 3.29
7 1 4 3.45 3.64
7 1 -4 1.49 3.59
7 1 5 18.73 3.63
7 1 -5 20.90 3.48
8 1 0 77.83 3.84
8 1 1 9.63 3.92
8 1 -1 10.18 3.69
8 1 2 2.63 3.94
8 1 -2 -0.04 4.74
8 1 3 -0.06 1.89
8 1 -3 3.01 4.21
8 1 4 22.07 4.01
8 1 -4 20.79 3.93
9 1 0 5.44 4.57
9 1 1 12.65 4.73
9 1 -1 17.96 4.39
9 1 2 7.07 4.63
9 1 -2 5.68 4.28
0 2 1 2.74 5.32
0 2 2 187.81 4.00
0 2 3 -0.69 2.88
0 2 4 28.48 2.85
0 2 5 1.46 2.56
0 2 6 50.72 2.58
0 2 7 0.34 2.57
0 2 8 72.80 2.85
1 2 0 1.27 9.16
1 2 1 70.04 5.27
1 2 -1 71.05 4.80
1 2 2 155.99 3.99
1 2 -2 157.03 3.78
1 2 3 349.59 3.55
1 2 -3 347.47 3.49
1 2 4 87.92 2.90
1 2 -4 91.48 2.86
1 2 5 5.30 2.65
1 2 -5 2.35 2.62
1 2 6 40.63 2.42
1 2 -6 42.97 2.56
1 2 7 43.67 2.46
1 2 -7 48.50 2.64
1 2 8 9.79 2.81
1 2 -8 11.63 2.64
2 2 0 678.55 5.84
2 2 1 348.23 4.64
2 2 -1 341.11 5.25
2 2 2 59.08 3.11
2 2 -2 59.94 3.67
2 2 3 12.25 2.95
2 2 -3 12.57 3.04
2 2 4 115.94 2.90
2 2 -4 112.38 2.93
2 2 5 34.29 2.68
2 2 -5 35.71 2.70
2 2 6 66.33 2.51
2 2 -6 66.47 2.64
2 2 7 52.65 2.69
2 2 -7 50.57 2.69
2 2 8 -1.83 2.85
2 2 -8 0.86 2.84
3 2 0 -1.06 3.96
3 2 1 3.13 4.05
3 2 -1 3.64 4.38
3 2 2 55.26 3.25
3 2 -2 49.95 3.67
3 2 3 56.70 3.26
3 2 -3 54.85 3.14
3 2 4 53.87 2.82
3 2 -4 55.52 3.00
3 2 5 116.86 2.71
3 2 -5 110.87 2.81
3 2 6 20.59 2.60
3 2 -6 19.10 2.73
3 2 7 14.38 2.56
3 2 -7 18.22 2.75
3 2 8 3.75 2.95
3 2 -8 3.03 2.96
4 2 0 33.72 3.56
4 2 -1 44.86 4.13
4 2 2 37.38 3.27
4 2 -2 28.07 3.73
4 2 3 53.30 3.32
4 2 -3 53.62 3.22
4 2 4 46.72 3.01
4 2 -4 44.38 2.91
4 2 5 9.23 2.64
4 2 -5 8.59 2.70
4 2 6 19.34 2.82
4 2 -6 18.87 2.71
4 2 7 58.60 2.89
4 2 -7 51.62 2.92
5 2 0 -1.50 3.26
5 2 -1 114.43 3.22
5 2 2 189.78 4.12
5 2 -2 178.77 4.06
5 2 3 111.79 3.38
5 2 -3 113.01 3.28
5 2 4 50.94 2.83
5 2 -4 50.89 3.07
5 2 5 15.43 2.89
5 2 -5 17.90 2.84
5 2 6 10.58 3.09
5 2 -6 5.52 2.94
5 2 7 5.66 3.30
5 2 -7 2.54 3.01
6 2 0 72.92 3.32
6 2 1 84.90 3.46
6 2 -1 82.00 3.18
6 2 -2 19.18 3.55
6 2 3 3.63 3.39
6 2 -3 1.29 3.42
6 2 4 2.33 3.23
6 2 -4 6.35 3.22
6 2 5 73.64 3.14
6 2 -5 74.03 3.18
6 2 6 21.58 3.09
6 2 -6 21.33 3.35
7 2 0 2.08 3.36
7 2 1 4.04 3.29
7 2 -1 0.95 3.02
7 2 2 2.64 3.38
7 2 -2 2.62 3.19
7 2 -3 5.38 3.31
7 2 4 51.07 4.24
7 2 -4 52.85 3.70
7 2 5 -0.31 3.53
7 2 -5 3.13 3.54
8 2 0 66.50 3.53
8 2 1 37.67 3.64
8 2 -1 39.74 3.42
8 2 2 10.17 3.77
8 2 -2 9.84 3.38
8 2 3 1.05 1.85
8 2 -3 3.38 3.18
8 2 -4 1.08 2.61
9 2 0 1.07 3.86
9 2 1 21.44 4.30
9 2 -1 21.26 3.87
0 3 0 -2.85 5.43
0 3 1 1000.00 5.50
0 3 2 0.62 3.41
0 3 3 3.67 3.00
0 3 4 2.07 2.67
0 3 5 438.36 3.11
0 3 6 1.37 2.45
0 3 7 67.63 2.67
0 3 8 -1.83 2.81
1 3 0 -5.78 5.68
1 3 1 226.92 4.47
1 3 -1 223.44 4.68
1 3 2 41.54 3.37
1 3 -2 42.38 3.30
1 3 3 370.83 3.40
1 3 -3 365.01 3.36
1 3 4 57.73 2.84
1 3 -4 54.89 2.81
1 3 5 100.39 2.75
1 3 -5 106.93 2.71
1 3 6 51.69 2.59
1 3 -6 47.89 2.58
1 3 7 6.87 2.60
1 3 -7 2.83 2.41
1 3 8 0.30 2.69
1 3 -8 8.28 2.66
2 3 0 343.53 5.59
2 3 1 25.13 3.89
2 3 -1 25.70 4.08
2 3 2 40.73 3.48
2 3 -2 40.09 3.37
2 3 3 52.29 3.14
2 3 -3 57.99 3.18
2 3 4 -1.73 2.89
2 3 -4 0.04 2.87
2 3 5 2.55 2.58
2 3 -5 4.16 2.62
2 3 6 45.90 2.63
2 3 -6 49.14 2.67
2 3 7 67.88 2.59
2 3 -7 73.49 2.71
2 3 8 69.07 2.96
2 3 -8 67.42 2.95
3 3 0 5.78 3.48
3 3 -1 31.20 4.43
3 3 2 530.61 3.73
3 3 -2 531.44 4.22
3 3 3 0.02 2.92
3 3 -3 3.55 3.12
3 3 4 327.98 3.12
3 3 -4 351.22 3.25
3 3 5 21.21 2.61
3 3 -5 23.17 2.70
3 3 6 2.21 2.65
3 3 -6 4.71 2.64
3 3 7 4.32 2.77
3 3 -7 5.03 2.78
4 3 0 597.70 3.87
4 3 -1 14.64 3.26
4 3 2 179.79 3.37
4 3 -2 168.91 3.84
4 3 3 36.44 2.99
4 3 -3 39.81 3.19
4 3 4 85.62 2.80
4 3 -4 88.11 2.97
4 3 5 0.93 2.64
4 3 -5 3.81 2.71
4 3 6 151.48 2.86
4 3 -6 149.70 2.96
4 3 7 8.66 2.87
4 3 -7 4.64 2.89
5 3 0 -2.50 3.23
5 3 1 -1.73 3.56
5 3 -1 4.42 3.06
5 3 -2 59.48 4.06
5 3 3 9.79 2.93
5 3 -3 6.12 3.35
5 3 4 51.79 2.86
5 3 -4 52.29 3.05
5 3 5 46.89 2.81
5 3 -5 48.40 3.09
5 3 6 56.14 2.91
5 3 -6 55.11 3.05
5 3 -7 15.07 3.17
6 3 0 7.26 3.00
6 3 1 192.06 3.29
6 3 -1 190.07 3.11
6 3 -2 20.33 2.80
6 3 -3 0.18 3.62
6 3 4 10.76 3.29
6 3 -4 18.75 3.33
6 3 5 44.56 3.00
6 3 -5 44.63 3.31
6 3 6 8.92 3.08
6 3 -6 7.54 3.38
7 3 0 -2.41 3.15
7 3 1 55.10 3.11
7 3 -1 51.72 3.16
7 3 2 -3.03 3.43
7 3 -2 2.35 2.80
7 3 -3 281.21 3.16
7 3 -4 3.77 3.81
7 3 5 24.40 3.62
7 3 -5 27.80 3.78
8 3 0 9.03 3.52
8 3 1 79.33 3.48
8 3 -1 82.96 3.28
8 3 2 5.39 3.53
8 3 -2 8.09 3.18
8 3 3 0.34 3.43
8 3 -3 5.97 3.21
9 3 0 1.97 3.75
9 3 1 1.76 3.86
9 3 -1 0.94 3.70
0 4 0 306.35 5.24
0 4 1 0.20 3.72
0 4 2 8.34 3.38
0 4 3 1.71 2.89
0 4 4 61.20 2.81
0 4 5 -1.47 2.60
0 4 6 4.47 2.57
0 4 7 0.57 2.57
0 4 8 10.96 2.70
1 4 0 1.29 4.40
1 4 1 22.94 3.75
1 4 -1 25.79 3.73
1 4 2 1.55 3.28
1 4 -2 0.31 3.20
1 4 3 118.34 3.00
1 4 -3 117.86 3.15
1 4 4 4.09 2.77
1 4 -4 10.03 2.71
1 4 5 8.83 2.45
1 4 -5 7.13 2.57
1 4 6 8.80 2.58
1 4 -6 6.68 2.55
1 4 7 41.12 2.54
1 4 -7 38.79 2.70
1 4 8 1.92 2.89
1 4 -8 3.18 2.88
2 4 0 163.55 4.20
2 4 1 32.65 4.28
2 4 -1 32.67 3.59
2 4 2 1.78 3.18
2 4 -2 5.18 3.22
2 4 3 23.36 3.07
2 4 -3 21.59 3.03
2 4 4 64.56 2.95
2 4 -4 66.02 2.92
2 4 5 5.07 2.60
2 4 -5 5.68 2.69
2 4 6 10.62 2.46
2 4 -6 8.96 2.65
2 4 7 -0.91 2.71
2 4 -7 2.06 2.70
2 4 8 9.22 2.65
3 4 0 -0.17 4.34
3 4 1 52.44 5.21
3 4 -1 56.66 3.19
3 4 2 17.25 3.22
3 4 -2 17.19 3.46
3 4 3 19.97 2.90
3 4 -3 23.50 3.08
3 4 4 17.83 2.71
3 4 -4 22.99 2.84
3 4 5 7.24 2.57
3 4 -5 8.53 2.70
3 4 6 22.13 2.69
3 4 -6 19.59 2.71
3 4 7 12.93 2.83
3 4 -7 13.56 2.78
4 4 0 13.42 3.08
4 4 -1 27.02 2.96
4 4 2 13.63 3.09
4 4 -2 14.59 3.67
4 4 3 20.23 2.89
4 4 -3 18.37 3.17
4 4 4 35.81 2.72
4 4 -4 28.97 2.95
4 4 5 3.58 2.67
4 4 -5 9.38 2.83
4 4 6 6.08 2.78
4 4 -6 5.84 2.91
4 4 7 0.85 2.87
4 4 -7 2.66 3.04
5 4 0 -1.83 2.88
5 4 1 41.46 3.24
5 4 -1 42.27 3.10
5 4 -2 57.49 3.85
5 4 3 15.86 3.13
5 4 -3 9.49 3.26
5 4 4 8.40 2.80
5 4 -4 7.00 3.19
5 4 5 -0.15 3.01
5 4 -5 0.30 2.95
5 4 6 12.92 2.89
5 4 -6 16.32 3.11
6 4 0 3.45 3.00
6 4 1 16.40 2.84
6 4 -1 20.66 2.98
6 4 -2 0.47 2.84
6 4 -3 5.56 3.96
6 4 4 2.71 3.00
6 4 -4 6.13 3.48
6 4 5 30.43 3.04
6 4 -5 38.38 3.51
6 4 6 1.38 3.16
6 4 -6 3.23 3.43
7 4 0 -0.25 2.98
7 4 1 1.58 3.03
7 4 -1 1.16 3.15
7 4 2 40.20 3.21
7 4 -2 46.16 2.69
7 4 -3 -0.47 1.66
7 4 -4 2.79 4.17
7 4 5 3.69 3.63
7 4 -5 4.20 3.97
8 4 0 5.49 3.36
8 4 1 12.52 3.20
8 4 -1 15.54 3.31
8 4 2 5.21 3.27
8 4 -2 -1.92 3.28
8 4 3 1.84 3.48
8 4 -3 4.43 3.32
8 4 -4 0.07 2.04
0 5 0 -2.84 3.79
0 5 1 125.68 3.78
0 5 2 0.69 3.06
0 5 3 38.76 2.91
0 5 4 2.13 2.74
0 5 5 6.44 2.60
0 5 6 2.95 2.63
0 5 7 142.83 2.91
1 5 0 1.55 3.99
1 5 1 22.26 4.09
1 5 -1 19.36 3.46
1 5 2 357.30 3.45
1 5 -2 353.68 3.47
1 5 3 226.01 3.16
1 5 -3 218.95 3.23
1 5 4 45.33 2.90
1 5 -4 49.07 2.75
1 5 5 98.86 2.57
1 5 -5 97.59 2.67
1 5 6 9.61 2.62
1 5 -6 8.68 2.57
1 5 7 6.59 2.73
1 5 -7 5.71 2.82
2 5 0 243.42 4.24
2 5 1 330.21 4.90
2 5 -1 327.82 3.68
2 5 2 157.34 3.49
2 5 -2 149.84 3.38
2 5 3 3.95 2.84
2 5 -3 7.08 3.03
2 5 4 40.25 2.87
2 5 -4 45.81 2.65
2 5 5 139.06 2.79
2 5 -5 145.18 2.80
2 5 6 98.14 2.69
2 5 -6 93.64 2.71
2 5 7 22.73 2.67
2 5 -7 21.53 2.80
3 5 0 0.49 3.95
3 5 1 76.24 5.02
3 5 -1 75.09 3.24
3 5 2 44.52 3.45
3 5 -2 38.90 3.31
3 5 3 42.57 3.19
3 5 -3 44.27 3.05
3 5 4 104.39 3.01
3 5 -4 104.89 2.86
3 5 5 4.80 2.33
3 5 -5 2.39 2.59
3 5 6 83.34 2.74
3 5 -6 81.68 2.81
3 5 7 5.07 2.72
3 5 -7 6.69 3.01
4 5 0 108.78 3.11
4 5 -1 71.54 3.05
4 5 -2 57.06 3.69
4 5 3 17.69 2.85
4 5 -3 20.86 3.12
4 5 4 9.45 2.72
4 5 -4 7.80 2.94
4 5 5 16.84 2.71
4 5 -5 11.38 2.88
4 5 6 50.98 2.83
4 5 -6 47.22 3.03
4 5 7 11.36 3.02
4 5 -7 1.04 3.14
5 5 0 2.43 2.80
5 5 1 44.40 2.92
5 5 -1 50.89 2.82
5 5 -2 122.37 2.79
5 5 3 160.96 3.34
5 5 -3 160.93 3.65
5 5 4 131.76 2.99
5 5 -4 133.89 3.46
5 5 5 12.94 2.84
5 5 -5 8.73 3.15
5 5 6 -3.63 2.64
5 5 -6 -0.62 3.20
6 5 0 201.30 3.00
6 5 1 56.91 2.86
6 5 -1 57.13 3.04
6 5 -2 9.10 2.90
6 5 -3 19.87 2.62
6 5 4 35.35 3.33
6 5 -4 33.99 3.59
6 5 5 23.83 3.35
6 5 -5 19.02 3.46
7 5 0 2.56 3.00
7 5 1 8.55 2.79
7 5 -1 5.29 2.97
7 5 2 -1.53 2.90
7 5 -2 11.64 2.94
7 5 -3 18.68 3.01
7 5 -4 1.55 3.02
8 5 0 86.40 3.26
8 5 1 46.31 3.29
8 5 -1 43.83 3.20
8 5 2 -0.05 3.07
8 5 -2 6.78 3.13
8 5 -3 9.36 3.21
0 6 0 960.57 4.59
0 6 1 -1.38 3.43
0 6 2 66.29 3.09
0 6 3 -1.71 2.83
0 6 4 105.71 2.79
0 6 5 0.74 2.47
0 6 6 109.70 2.69
0 6 7 0.77 2.84
1 6 0 -0.61 3.64
1 6 1 4.06 3.75
1 6 -1 5.63 3.02
1 6 2 125.43 3.33
1 6 -2 129.28 3.30
1 6 3 15.00 2.99
1 6 -3 10.29 2.82
1 6 4 159.53 2.86
1 6 -4 158.00 2.68
1 6 5 35.74 2.69
1 6 -5 35.94 2.80
1 6 6 6.53 2.69
1 6 -6 4.02 2.66
1 6 7 28.34 2.90
1 6 -7 28.83 2.87
2 6 0 2.83 3.77
2 6 1 37.48 4.00
2 6 -1 44.25 3.26
2 6 2 22.56 3.30
2 6 -2 21.88 3.11
2 6 3 37.53 3.01
2 6 -3 36.78 2.91
2 6 4 20.53 2.82
2 6 -4 22.51 2.73
2 6 5 20.19 2.64
2 6 -5 25.20 2.66
2 6 6 6.40 2.85
2 6 -6 10.83 2.75
2 6 7 27.96 2.90
2 6 -7 26.42 2.86
3 6 0 2.75 3.46
3 6 1 142.33 4.70
3 6 -1 147.97 3.90
3 6 2 3.90 3.92
3 6 -2 5.87 3.24
3 6 3 252.46 3.14
3 6 -3 262.85 3.21
3 6 4 3.48 2.84
3 6 -4 3.26 2.81
3 6 5 23.92 2.88
3 6 -5 22.41 2.80
3 6 6 20.70 2.76
3 6 -6 24.95 2.91
3 6 7 13.75 2.81
3 6 -7 12.37 3.14
4 6 0 16.18 2.94
4 6 1 234.14 3.18
4 6 -1 245.74 4.31
4 6 -2 6.12 3.24
4 6 3 7.26 2.79
4 6 -3 -2.34 2.96
4 6 4 29.30 2.77
4 6 -4 18.07 3.00
4 6 5 80.86 2.82
4 6 -5 81.09 3.08
4 6 6 4.14 2.84
4 6 -6 5.61 3.15
5 6 0 0.04 2.76
5 6 1 -2.59 2.80
5 6 -1 -0.74 2.74
5 6 -2 6.28 2.70
5 6 -3 35.53 3.59
5 6 4 16.36 2.88
5 6 -4 16.64 3.32
5 6 5 32.57 2.96
5 6 -5 38.91 3.29
5 6 6 17.08 3.04
5 6 -6 21.70 3.33
6 6 0 93.56 2.83
6 6 1 -1.41 2.80
6 6 -1 8.77 2.73
6 6 2 36.57 2.88
6 6 -2 41.14 2.75
6 6 -3 4.88 2.65
6 6 -4 17.02 4.06
6 6 5 7.02 3.15
6 6 -5 5.31 3.69
7 6 0 6.31 3.05
7 6 1 8.07 3.11
7 6 -1 1.01 2.79
7 6 2 143.12 3.11
7 6 -2 163.79 2.95
7 6 -3 4.18 2.79
7 6 -4 41.45 3.22
8 6 0 33.79 3.29
8 6 1 4.56 3.30
8 6 -1 2.77 3.22
8 6 2 22.24 3.46
8 6 -2 26.63 3.25
0 7 0 -9.57 3.73
0 7 1 135.60 3.81
0 7 2 0.02 3.29
0 7 3 1.24 2.81
0 7 4 1.66 2.69
0 7 5 111.76 3.06
0 7 6 0.06 2.76
0 7 7 4.92 2.94
1 7 0 5.59 3.45
1 7 1 22.81 3.78
1 7 -1 32.78 3.26
1 7 2 64.68 3.58
1 7 -2 66.27 3.18
1 7 3 25.02 2.96
1 7 -3 26.04 2.64
1 7 4 5.07 2.69
1 7 -4 3.64 2.66
1 7 5 10.28 2.83
1 7 -5 11.90 2.67
1 7 6 20.30 2.97
1 7 -6 18.64 2.86
1 7 7 0.62 2.99
1 7 -7 3.57 3.04
2 7 0 14.90 3.56
2 7 1 8.19 3.93
2 7 -1 14.65 3.57
2 7 2 4.58 3.63
2 7 -2 6.35 2.98
2 7 3 16.00 3.00
2 7 -3 18.54 2.94
2 7 4 9.62 2.84
2 7 -4 6.46 2.76
2 7 5 21.25 2.70
2 7 -5 16.22 2.65
2 7 6 3.28 2.87
2 7 -6 -0.43 2.87
2 7 7 15.17 2.65
2 7 -7 9.92 2.84
3 7 0 9.85 3.56
3 7 1 24.37 3.69
3 7 -1 25.32 3.36
3 7 2 87.62 3.86
3 7 -2 87.88 2.93
3 7 3 -2.37 3.09
3 7 -3 2.37 2.89
3 7 4 34.19 2.83
3 7 -4 42.44 2.79
3 7 5 10.42 2.74
3 7 -5 7.28 2.85
3 7 6 14.38 2.84
3 7 -6 10.74 3.03
4 7 0 80.18 3.75
4 7 1 14.74 3.52
4 7 -1 20.35 3.63
4 7 2 14.23 4.45
4 7 -2 22.38 3.31
4 7 3 22.29 4.08
4 7 -3 23.81 3.24
4 7 4 24.23 2.79
4 7 -4 25.89 3.09
4 7 5 -0.08 2.83
4 7 -5 5.11 3.16
4 7 6 9.31 2.65
4 7 -6 15.18 3.21
5 7 0 6.10 2.76
5 7 1 5.46 2.51
5 7 -1 5.62 2.76
5 7 -2 -1.40 2.76
5 7 -3 7.15 3.37
5 7 -4 2.23 3.49
5 7 5 8.33 3.01
5 7 -5 8.49 3.25
6 7 0 29.01 2.78
6 7 1 17.90 2.85
6 7 -1 29.98 3.03
6 7 2 4.02 2.87
6 7 -2 2.99 2.76
6 7 -3 10.17 2.78
6 7 -4 15.74 3.69
7 7 0 -8.42 2.84
7 7 1 14.04 3.17
7 7 -1 12.38 2.86
7 7 2 -0.47 2.99
7 7 -2 -1.03 2.85
7 7 3 44.57 3.19
7 7 -3 52.36 2.96
0 8 0 34.53 3.32
0 8 1 4.02 3.34
0 8 2 100.34 3.24
0 8 3 3.40 2.79
0 8 4 10.93 2.75
0 8 5 4.72 2.78
0 8 6 60.14 2.97
1 8 0 1.57 3.34
1 8 1 40.85 3.33
1 8 -1 44.79 3.18
1 8 2 111.44 3.52
1 8 -2 110.36 3.15
1 8 3 162.90 3.10
1 8 -3 167.59 2.96
1 8 4 98.29 2.87
1 8 -4 96.61 2.97
1 8 5 1.82 2.91
1 8 -5 2.36 2.75
1 8 6 36.87 3.10
1 8 -6 30.28 2.99
2 8 0 336.64 3.78
2 8 1 199.91 3.27
2 8 -1 201.88 3.54
2 8 2 40.20 3.67
2 8 -2 40.36 2.98
2 8 3 2.41 2.95
2 8 -3 3.24 2.81
2 8 4 56.17 2.99
2 8 -4 60.57 2.91
2 8 5 37.14 3.04
2 8 -5 40.87 2.88
2 8 6 57.76 2.90
2 8 -6 56.13 3.06
3 8 0 0.82 3.37
3 8 1 4.64 3.30
3 8 -1 0.69 3.13
3 8 2 31.37 3.87
3 8 -2 23.76 2.91
3 8 3 72.84 3.83
3 8 -3 71.30 2.86
3 8 4 28.00 3.08
3 8 -4 30.06 2.84
3 8 5 90.96 3.28
3 8 -5 95.60 3.16
3 8 6 9.04 3.25
3 8 -6 7.90 3.17
4 8 0 32.44 3.54
4 8 1 59.58 3.26
4 8 -1 60.11 3.34
4 8 2 10.87 4.35
4 8 -2 20.69 3.43
4 8 3 24.89 4.23
4 8 -3 29.54 3.18
4 8 4 13.98 3.90
4 8 -4 23.66 3.25
4 8 5 14.00 2.95
4 8 -5 12.70 3.30
5 8 0 5.41 2.78
5 8 1 73.47 2.58
5 8 -1 63.18 2.83
5 8 2 114.20 2.64
5 8 -2 108.59 2.91
5 8 -3 100.09 3.35
5 8 -4 47.81 3.44
5 8 -5 22.45 2.99
6 8 0 75.68 2.93
6 8 1 63.54 2.91
6 8 -1 61.63 2.91
6 8 2 24.96 2.93
6 8 -2 22.10 2.89
6 8 -3 -1.63 2.90
7 8 0 -1.35 2.98
7 8 1 3.49 3.03
7 8 -1 1.82 2.96
7 8 2 1.08 3.08
7 8 -2 6.00 3.26
0 9 0 -1.19 3.11
0 9 1 128.07 3.33
0 9 2 -0.12 3.11
0 9 3 10.18 3.04
0 9 4 4.74 2.84
0 9 5 93.57 2.93
0 9 6 3.84 3.09
1 9 0 -0.21 3.20
1 9 1 30.00 3.21
1 9 -1 30.50 3.06
1 9 2 28.17 3.50
1 9 -2 41.87 3.06
1 9 3 41.14 3.37
1 9 -3 36.92 3.02
1 9 4 9.48 2.86
1 9 -4 8.61 2.95
1 9 5 8.98 2.95
1 9 -5 7.79 2.91
1 9 6 18.41 3.12
1 9 -6 14.48 3.13
2 9 0 25.85 3.30
2 9 1 1.32 3.00
2 9 -1 2.55 2.94
2 9 2 1.30 3.72
2 9 -2 5.39 2.92
2 9 3 13.20 3.38
2 9 -3 17.81 2.91
2 9 4 4.89 3.12
2 9 -4 3.09 2.97
2 9 5 13.74 2.93
2 9 -5 9.55 3.08
3 9 0 6.53 3.32
3 9 1 14.44 3.24
3 9 -1 14.43 3.31
3 9 2 77.73 4.11
3 9 -2 82.69 3.39
3 9 3 8.42 3.64
3 9 -3 0.40 2.57
3 9 4 44.87 3.83
3 9 -4 47.98 3.13
3 9 5 3.74 3.38
3 9 -5 6.25 3.15
4 9 0 93.89 3.35
4 9 1 5.39 3.47
4 9 -1 4.43 3.56
4 9 2 21.64 3.40
4 9 -2 25.80 3.52
4 9 3 12.82 4.21
4 9 -3 13.81 3.02
4 9 4 24.01 4.40
4 9 -4 19.80 3.08
5 9 0 0.54 2.53
5 9 1 7.41 2.56
5 9 -1 -4.46 2.85
5 9 2 5.54 2.87
5 9 -2 1.69 2.88
5 9 -3 1.49 4.07
5 9 -4 4.27 3.60
6 9 0 11.62 2.93
6 9 1 29.35 2.69
6 9 -1 29.01 2.98
6 9 2 0.90 2.71
6 9 -2 5.74 2.96
0 10 0 278.34 3.39
0 10 1 -2.11 3.06
0 10 2 23.42 3.22
0 10 3 10.59 3.12
0 10 4 44.93 3.22
0 10 5 4.53 3.11
1 10 0 -2.47 3.19
1 10 1 5.54 3.20
1 10 -1 0.31 3.17
1 10 2 36.70 3.37
1 10 -2 41.86 3.18
1 10 3 7.09 3.49
1 10 -3 4.97 3.10
1 10 4 45.46 3.28
1 10 -4 54.59 3.18
1 10 5 14.15 3.13
1 10 -5 17.06 3.24
2 10 0 4.08 3.13
2 10 1 11.22 3.29
2 10 -1 8.18 3.28
2 10 2 5.97 3.22
2 10 -2 6.09 3.27
2 10 3 18.00 3.56
2 10 -3 17.41 2.74
2 10 4 11.84 3.90
2 10 -4 18.23 3.11
2 10 5 9.52 3.51
2 10 -5 11.43 3.27
3 10 0 4.38 3.36
3 10 1 49.81 3.36
3 10 -1 41.23 3.42
3 10 2 2.27 3.31
3 10 -2 3.48 3.11
3 10 3 89.42 4.02
3 10 -3 93.07 3.12
3 10 4 -2.43 4.06
3 10 -4 4.30 3.14
4 10 0 5.86 3.26
4 10 1 84.41 3.33
4 10 -1 83.37 3.74
4 10 2 4.44 3.49
4 10 -2 5.22 3.56
4 10 3 3.60 4.49
4 10 -3 -0.48 3.63
4 10 4 7.00 4.45
4 10 -4 19.08 3.52
5 10 0 -2.84 2.90
5 10 1 8.94 2.93
5 10 -1 -3.02 2.65
5 10 2 4.84 2.97
5 10 -2 5.72 3.00
5 10 3 13.96 2.74
5 10 -3 8.47 2.76
0 11 0 -0.81 3.08
0 11 1 38.92 3.29
0 11 2 4.60 3.10
0 11 3 21.30 3.66
0 11 4 5.54 3.40
1 11 0 1.08 3.23
1 11 1 11.75 3.27
1 11 -1 8.35 3.25
1 11 2 93.70 3.33
1 11 -2 96.05 3.20
1 11 3 72.35 3.77
1 11 -3 73.56 3.32
1 11 4 22.79 3.48
1 11 -4 18.94 3.37
2 11 0 82.94 3.45
2 11 1 99.22 3.40
2 11 -1 96.78 3.44
2 11 2 37.12 3.41
2 11 -2 44.84 3.38
2 11 3 3.94 3.84
2 11 -3 7.15 3.31
2 11 4 21.12 3.91
2 11 -4 13.81 3.31
3 11 0 5.45 3.21
3 11 1 18.64 3.22
3 11 -1 17.84 3.59
3 11 2 16.53 3.49
3 11 -2 13.87 3.26
3 11 3 12.47 3.77
3 11 -3 16.56 3.47
4 11 0 38.98 3.47
4 11 1 19.30 3.70
4 11 -1 17.54 3.48
4 11 2 19.13 3.72
4 11 -2 21.90 3.74
0 12 0 61.74 3.54
0 12 1 3.23 3.23
0 12 2 -1.82 3.27
0 12 3 3.22 3.67
1 12 0 2.25 3.33
1 12 1 6.84 3.36
1 12 -1 1.79 3.20
1 12 2 6.16 3.39
1 12 -2 2.97 3.40
1 12 3 10.53 3.48
1 12 -3 14.54 3.50
2 12 0 16.98 3.48
2 12 1 -0.49 3.50
2 12 -1 2.49 3.38
2 12 2 3.86 3.24
2 12 -2 8.99 3.49
3 12 0 0.96 3.34
3 12 1 8.34 3.63
3 12 -1 17.03 3.64
0 0 0 0.00 0.00
;
_shelx_res_checksum 13091
_shelx_res_file
;
TITL Dy3Ni
CELL 0.71073 6.863 9.553 6.302 90.000 90.000 90.000
ZERR 1.00 0.003 0.003 0.002 0.000 0.000 0.000
LATT 1
SYMM 1/2 - X, 1/2 + Y, 1/2 + Z
SYMM X, 1/2 - Y, Z
SYMM 1/2 - X, - Y, 1/2 + Z
SFAC NI DY
UNIT 4 12
BOND
FMAP 2
BOND
ACTA
L.S. 4
WGHT 0.014100
EXTI 0.000305
FVAR 0.06405
DY1 2 0.179755 0.064391 0.177455 11.00000 0.01504 0.01505 =
0.01427 -0.00039 0.00029 0.00011
DY2 2 0.032181 0.250000 0.636942 10.50000 0.01583 0.01437 =
0.01376 0.00000 0.00140 0.00000
NI 1 0.391659 0.250000 0.447699 10.50000 0.01313 0.02682 =
0.01920 0.00000 0.00027 0.00000
HKLF 4
REM Dy3Ni
REM R1 = 0.0417 for 447 Fo > 4sig(Fo) and 0.0697 for all 582 data
REM 23 parameters refined using 0 restraints
END
WGHT 0.0138 0.0000
REM Highest difference peak 2.824, deepest hole -2.654, 1-sigma level 0.507
Q1 1 -0.0340 0.2500 0.8402 10.50000 0.05 2.82
Q2 1 0.6091 0.2500 0.5380 10.50000 0.05 2.05
Q3 1 0.2777 0.0674 0.0607 11.00000 0.05 1.66
Q4 1 -0.1862 0.2500 0.7443 10.50000 0.05 1.63
Q5 1 0.5076 0.2500 0.2027 10.50000 0.05 1.57
Q6 1 0.2232 0.2500 0.1233 10.50000 0.05 1.55
Q7 1 0.2035 0.2500 0.6911 10.50000 0.05 1.52
Q8 1 0.1908 -0.0611 0.3684 11.00000 0.05 1.51
Q9 1 0.1687 0.1989 0.4319 11.00000 0.05 1.50
Q10 1 0.3555 0.2081 0.5637 11.00000 0.05 1.45
Q11 1 0.1156 0.1509 0.5839 11.00000 0.05 1.45
Q12 1 0.5662 0.2500 0.3557 10.50000 0.05 1.38
Q13 1 0.5449 0.1918 0.5230 11.00000 0.05 1.36
Q14 1 0.2444 0.3047 0.8211 11.00000 0.05 1.31
Q15 1 0.4005 0.0722 0.0242 11.00000 0.05 1.30
Q16 1 0.4345 0.1362 0.4227 11.00000 0.05 1.30
Q17 1 0.4643 0.0803 0.5390 11.00000 0.05 1.28
Q18 1 0.2298 -0.0128 0.2619 11.00000 0.05 1.28
Q19 1 -0.0038 0.1536 0.2130 11.00000 0.05 1.27
Q20 1 0.3201 0.1697 0.0378 11.00000 0.05 1.23
;
_shelxl_version_number .2013
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, z+1/2'
'x, -y+1/2, z'
'-x+1/2, -y, z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, -z-1/2'
'-x, y-1/2, -z'
'x-1/2, y, -z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
Dy Dy1 0.17975(10) 0.06439(6) 0.17745(9) 0.01479(17) Uani d 1
Dy Dy2 0.03218(14) 0.2500 0.63694(13) 0.0147(2) Uani d 1
Ni Ni 0.3917(4) 0.2500 0.4477(4) 0.0197(5) Uani d 1
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Dy1 0.0150(3) 0.0151(3) 0.0143(2) 0.0001(3) 0.0003(3) -0.0004(2)
Dy2 0.0158(5) 0.0144(4) 0.0138(4) 0.000 0.0014(3) 0.000
Ni 0.0131(12) 0.0268(14) 0.0192(11) 0.000 0.0003(10) 0.000
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
Ni Dy1 Ni 6_566 . 97.80(5)
Ni Dy1 Ni 6_566 2_544 110.14(3)
Ni Dy1 Ni . 2_544 152.06(4)
Ni Dy1 Dy1 6_566 4 132.42(6)
Ni Dy1 Dy1 . 4 62.83(4)
Ni Dy1 Dy1 2_544 4 96.49(5)
Ni Dy1 Dy1 6_566 4_554 99.46(5)
Ni Dy1 Dy1 . 4_554 127.71(7)
Ni Dy1 Dy1 2_544 4_554 48.95(4)
Dy1 Dy1 Dy1 4 4_554 127.23(4)
Ni Dy1 Dy2 6_566 5_556 110.13(6)
Ni Dy1 Dy2 . 5_556 122.64(5)
Ni Dy1 Dy2 2_544 5_556 47.57(5)
Dy1 Dy1 Dy2 4 5_556 61.27(3)
Dy1 Dy1 Dy2 4_554 5_556 96.43(3)
Ni Dy1 Dy2 6_566 . 73.05(5)
Ni Dy1 Dy2 . . 49.28(6)
Ni Dy1 Dy2 2_544 . 139.07(5)
Dy1 Dy1 Dy2 4 . 61.40(2)
Dy1 Dy1 Dy2 4_554 . 170.23(3)
Dy2 Dy1 Dy2 5_556 . 92.13(2)
Ni Dy1 Dy1 6_566 3 50.21(4)
Ni Dy1 Dy1 . 3 51.63(4)
Ni Dy1 Dy1 2_544 3 153.03(4)
Dy1 Dy1 Dy1 4 3 110.47(2)
Dy1 Dy1 Dy1 4_554 3 110.47(2)
Dy2 Dy1 Dy1 5_556 3 148.141(19)
Dy2 Dy1 Dy1 . 3 59.972(15)
Ni Dy1 Dy1 6_566 5 63.03(5)
Ni Dy1 Dy1 . 5 160.83(5)
Ni Dy1 Dy1 2_544 5 47.11(5)
Dy1 Dy1 Dy1 4 5 129.32(4)
Dy1 Dy1 Dy1 4_554 5 60.32(3)
Dy2 Dy1 Dy1 5_556 5 68.17(3)
Dy2 Dy1 Dy1 . 5 119.32(4)
Dy1 Dy1 Dy1 3 5 110.28(2)
Ni Dy1 Dy1 6_566 8_556 51.95(5)
Ni Dy1 Dy1 . 8_556 109.78(6)
Ni Dy1 Dy1 2_544 8_556 88.29(5)
Dy1 Dy1 Dy1 4 8_556 91.96(3)
Dy1 Dy1 Dy1 4_554 8_556 119.71(3)
Dy2 Dy1 Dy1 5_556 8_556 61.14(2)
Dy2 Dy1 Dy1 . 8_556 60.88(2)
Dy1 Dy1 Dy1 3 8_556 90.0
Dy1 Dy1 Dy1 5 8_556 59.38(3)
Ni Dy1 Dy1 6_566 8_656 139.72(4)
Ni Dy1 Dy1 . 8_656 49.80(5)
Ni Dy1 Dy1 2_544 8_656 104.55(5)
Dy1 Dy1 Dy1 4 8_656 60.29(3)
Dy1 Dy1 Dy1 4_554 8_656 88.04(3)
Dy2 Dy1 Dy1 5_556 8_656 108.20(2)
Dy2 Dy1 Dy1 . 8_656 93.77(3)
Dy1 Dy1 Dy1 3 8_656 90.0
Dy1 Dy1 Dy1 5 8_656 146.49(3)
Dy1 Dy1 Dy1 8_556 8_656 150.16(4)
Ni Dy1 Dy2 6_566 6_666 90.43(6)
Ni Dy1 Dy2 . 6_666 71.33(6)
Ni Dy1 Dy2 2_544 6_666 107.50(5)
Dy1 Dy1 Dy2 4 6_666 118.81(4)
Dy1 Dy1 Dy2 4_554 6_666 59.62(2)
Dy2 Dy1 Dy2 5_556 6_666 151.42(2)
Dy2 Dy1 Dy2 . 6_666 113.33(3)
Dy1 Dy1 Dy2 3 6_666 60.442(16)
Dy1 Dy1 Dy2 5 6_666 106.94(4)
Dy1 Dy1 Dy2 8_556 6_666 142.39(2)
Dy1 Dy1 Dy2 8_656 6_666 59.45(3)
Ni Dy2 Ni3 . 6_567 136.02(9)
Ni Dy2 Dy1 . 5_556 120.95(2)
Ni Dy2 Dy1 6_567 5_556 63.09(3)
Ni Dy2 Dy1 . 7_566 120.95(2)
Ni Dy2 Dy1 6_567 7_566 63.09(3)
Dy1 Dy2 Dy1 5_556 7_566 116.28(4)
Ni Dy2 Dy1 . . 52.19(4)
Ni Dy2 Dy1 6_567 . 149.959(16)
Dy1 Dy2 Dy1 5_556 . 87.87(3)
Dy1 Dy2 Dy1 7_566 . 144.38(2)
Ni Dy2 Dy1 . 3 52.19(4)
Ni Dy2 Dy1 6_567 3 149.959(16)
Dy1 Dy2 Dy1 5_556 3 144.38(2)
Dy1 Dy2 Dy1 7_566 3 87.87(2)
Dy1 Dy2 Dy1 . 3 60.06(3)
Ni Dy2 Dy1 . 8_556 111.46(6)
Ni Dy2 Dy1 6_567 8_556 106.54(6)
Dy1 Dy2 Dy1 5_556 8_556 59.11(2)
Dy1 Dy2 Dy1 7_566 8_556 108.94(3)
Dy1 Dy2 Dy1 . 8_556 59.67(3)
Dy1 Dy2 Dy1 3 8_556 89.35(3)
Ni Dy2 Dy1 . 6_566 111.46(6)
Ni Dy2 Dy1 6_567 6_566 106.54(6)
Dy1 Dy2 Dy1 5_556 6_566 108.94(3)
Dy1 Dy2 Dy1 7_566 6_566 59.11(2)
Dy1 Dy2 Dy1 . 6_566 89.35(3)
Dy1 Dy2 Dy1 3 6_566 59.67(3)
Dy1 Dy2 Dy1 8_556 6_566 59.12(3)
Ni Dy2 Dy1 . 2 62.42(3)
Ni Dy2 Dy1 6_567 2 97.07(4)
Dy1 Dy2 Dy1 5_556 2 155.48(3)
Dy1 Dy2 Dy1 7_566 2 59.64(3)
Dy1 Dy2 Dy1 . 2 108.55(3)
Dy1 Dy2 Dy1 3 2 58.947(18)
Dy1 Dy2 Dy1 8_556 2 144.99(2)
Dy1 Dy2 Dy1 6_566 2 89.83(3)
Ni Dy2 Dy1 . 4 62.42(3)
Ni Dy2 Dy1 6_567 4 97.07(4)
Dy1 Dy2 Dy1 5_556 4 59.64(3)
Dy1 Dy2 Dy1 7_566 4 155.48(3)
Dy1 Dy2 Dy1 . 4 58.947(18)
Dy1 Dy2 Dy1 3 4 108.55(3)
Dy1 Dy2 Dy1 8_556 4 89.83(3)
Dy1 Dy2 Dy1 6_566 4 144.99(2)
Dy1 Dy2 Dy1 2 4 112.85(4)
Ni Dy2 Dy2 . 6_667 48.35(6)
Ni Dy2 Dy2 6_567 6_667 87.67(7)
Dy1 Dy2 Dy2 5_556 6_667 104.66(3)
Dy1 Dy2 Dy2 7_566 6_667 104.66(3)
Dy1 Dy2 Dy2 . 6_667 92.83(3)
Dy1 Dy2 Dy2 3 6_667 92.83(3)
Dy1 Dy2 Dy2 8_556 6_667 146.39(2)
Dy1 Dy2 Dy2 6_566 6_667 146.39(2)
Dy1 Dy2 Dy2 2 6_667 57.75(2)
Dy1 Dy2 Dy2 4 6_667 57.75(2)
Ni Dy2 Dy2 . 6_567 176.75(7)
Ni Dy2 Dy2 6_567 6_567 47.22(6)
Dy1 Dy2 Dy2 5_556 6_567 59.55(2)
Dy1 Dy2 Dy2 7_566 6_567 59.55(2)
Dy1 Dy2 Dy2 . 6_567 125.27(3)
Dy1 Dy2 Dy2 3 6_567 125.27(3)
Dy1 Dy2 Dy2 8_556 6_567 65.79(3)
Dy1 Dy2 Dy2 6_566 6_567 65.79(3)
Dy1 Dy2 Dy2 2 6_567 118.64(2)
Dy1 Dy2 Dy2 4 6_567 118.64(2)
Dy2 Dy2 Dy2 6_667 6_567 134.90(5)
Dy2 Ni Dy1 . 6_666 140.04(4)
Dy2 Ni Dy1 . 8_656 140.04(4)
Dy1 Ni Dy1 6_666 8_656 79.59(8)
Dy2 Ni Dy2 . 6_667 84.43(7)
Dy1 Ni Dy2 6_666 6_667 91.17(8)
Dy1 Ni Dy2 8_656 6_667 91.17(8)
Dy2 Ni Dy1 . . 78.53(7)
Dy1 Ni Dy1 6_666 . 126.22(9)
Dy1 Ni Dy1 8_656 . 78.25(5)
Dy2 Ni Dy1 6_667 . 137.35(5)
Dy2 Ni Dy1 . 3 78.53(7)
Dy1 Ni Dy1 6_666 3 78.25(5)
Dy1 Ni Dy1 8_656 3 126.22(9)
Dy2 Ni Dy1 6_667 3 137.35(5)
Dy1 Ni Dy1 . 3 76.74(7)
Dy2 Ni Dy1 . 2 71.46(5)
Dy1 Ni Dy1 6_666 2 69.86(3)
Dy1 Ni Dy1 8_656 2 142.80(9)
Dy2 Ni Dy1 6_667 2 69.34(4)
Dy1 Ni Dy1 . 2 137.33(9)
Dy1 Ni Dy1 3 2 68.22(3)
Dy2 Ni Dy1 . 4 71.46(5)
Dy1 Ni Dy1 6_666 4 142.80(9)
Dy1 Ni Dy1 8_656 4 69.86(3)
Dy2 Ni Dy1 6_667 4 69.34(4)
Dy1 Ni Dy1 . 4 68.22(3)
Dy1 Ni Dy1 3 4 137.33(9)
Dy1 Ni Dy1 2 4 126.05(8)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Dy1 Ni 6_566 2.770(2)
Dy1 Ni . 2.856(2)
Dy1 Ni 2_544 3.3700(15)
Dy1 Dy1 4 3.5174(11)
Dy1 Dy1 4_554 3.5174(11)
Dy1 Dy2 5_556 3.5361(12)
Dy1 Dy2 . 3.5433(12)
Dy1 Dy1 3 3.5462(16)
Dy1 Dy1 5 3.5502(15)
Dy1 Dy1 8_556 3.5512(15)
Dy1 Dy1 8_656 3.5512(15)
Dy1 Dy2 6_666 3.5944(14)
Dy2 Ni . 2.740(3)
Dy2 Ni 6_567 2.790(3)
Dy2 Dy1 5_556 3.5361(12)
Dy2 Dy1 7_566 3.5361(12)
Dy2 Dy1 3 3.5433(12)
Dy2 Dy1 8_556 3.5944(14)
Dy2 Dy1 6_566 3.5944(14)
Dy2 Dy1 2 3.6047(12)
Dy2 Dy1 4 3.6047(12)
Dy2 Dy2 6_667 3.7156(15)
Dy2 Dy2 6_567 3.7156(15)
Ni Dy1 6_666 2.770(2)
Ni Dy1 8_656 2.770(2)
Ni Dy2 6_667 2.790(3)
Ni Dy1 3 2.856(2)
Ni Dy1 2 3.3700(15)
Ni Dy1 4 3.3700(15)