#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002984.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2002984
_journal_name_full               'Acta Crystallographica, Section B'
_journal_volume                  55
_journal_year     1999
_journal_page_first     321
_journal_page_last     326
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_[local]_cod_cif_authors_sg_H-M  'F d -3m'
loop_
    _publ_author_name
    ' Streltsov V. A.'
_chemical_name_common     cubic_Laves
_chemical_formula_sum            'Fe2 Ho'
_[local]_cod_chemical_formula_sum_orig 'Fe2 Ho1'
_chemical_formula_weight     276.62
_symmetry_cell_setting     cubic
loop_
    _symmetry_equiv_pos_as_xyz
    +x,+y,+z
    +x,1/4-y,1/4-z
    3/4-x,1/4-y,1/2+z
    3/4-x,+y,3/4-z
    -y,1/4+x,1/4+z
    3/4+y,1/4+x,1/2-z
    3/4+y,-x,3/4+z
    -y,-x,-z
    +y,+z,+x
    3/4-y,1/4-z,1/2+x
    +y,1/4-z,1/4-x
    3/4-y,+z,3/4-x
    -z,1/4+y,1/4+x
    -z,-y,-x
    3/4+z,-y,3/4+x
    3/4+z,1/4+y,1/2-x
    +z,+x,+y
    1/4-z,1/2+x,3/4-y
    1/4-z,1/4-x,+y
    +z,3/4-x,3/4-y
    -x,-z,-y
    -x,3/4+z,3/4+y
    1/4+x,1/2-z,3/4+y
    3/4+x,1/4+z,1/2-y
    -x,-y,-z
    -x,3/4+y,3/4+z
    1/4+x,3/4+y,1/2-z
    1/4+x,-y,1/4+z
    +y,3/4-x,3/4-z
    1/4-y,3/4-x,1/2+z
    1/4-y,+x,1/4-z
    +y,+x,+z
    -y,-z,-x
    1/4+y,3/4+z,1/2-x
    -y,3/4+z,3/4+x
    1/4+y,-z,1/4+x
    +z,3/4-y,3/4-x
    +z,+y,+x
    1/4-z,+y,1/4-x
    1/4-z,3/4-y,1/2+x
    -z,-x,-y
    3/4+z,1/2-x,1/4+y
    3/4+z,3/4+x,-y
    -z,1/4+x,1/4+y
    +x,+z,+y
    +x,1/4-z,1/4-y
    3/4-x,1/2+z,1/4-y
    1/4-x,3/4-z,1/2+y
    +x,1/2+y,1/2+z
    1/2+x,+y,1/2+z
    1/2+x,1/2+y,+z
    +x,3/4-y,3/4-z
    1/2+x,1/4-y,3/4-z
    1/2+x,3/4-y,1/4-z
    3/4-x,3/4-y,+z
    1/4-x,1/4-y,+z
    1/4-x,3/4-y,1/2+z
    3/4-x,1/2+y,1/4-z
    1/4-x,+y,1/4-z
    1/4-x,1/2+y,3/4-z
    -y,3/4+x,3/4+z
    1/2-y,1/4+x,3/4+z
    1/2-y,3/4+x,1/4+z
    3/4+y,3/4+x,-z
    1/4+y,1/4+x,-z
    1/4+y,3/4+x,1/2-z
    3/4+y,1/2-x,1/4+z
    1/4+y,-x,1/4+z
    1/4+y,1/2-x,3/4+z
    -y,1/2-x,1/2-z
    1/2-y,-x,1/2-z
    1/2-y,1/2-x,-z
    +y,1/2+z,1/2+x
    1/2+y,+z,1/2+x
    1/2+y,1/2+z,+x
    3/4-y,3/4-z,+x
    1/4-y,1/4-z,+x
    1/4-y,3/4-z,1/2+x
    +y,3/4-z,3/4-x
    1/2+y,1/4-z,3/4-x
    1/2+y,3/4-z,1/4-x
    3/4-y,1/2+z,1/4-x
    1/4-y,+z,1/4-x
    1/4-y,1/2+z,3/4-x
    -z,3/4+y,3/4+x
    1/2-z,1/4+y,3/4+x
    1/2-z,3/4+y,1/4+x
    -z,1/2-y,1/2-x
    1/2-z,-y,1/2-x
    1/2-z,1/2-y,-x
    3/4+z,1/2-y,1/4+x
    1/4+z,-y,1/4+x
    1/4+z,1/2-y,3/4+x
    3/4+z,3/4+y,-x
    1/4+z,1/4+y,-x
    1/4+z,3/4+y,1/2-x
    +z,1/2+x,1/2+y
    1/2+z,+x,1/2+y
    1/2+z,1/2+x,+y
    1/4-z,+x,1/4-y
    3/4-z,1/2+x,1/4-y
    3/4-z,+x,3/4-y
    1/4-z,3/4-x,1/2+y
    3/4-z,1/4-x,1/2+y
    3/4-z,3/4-x,+y
    +z,1/4-x,1/4-y
    1/2+z,3/4-x,1/4-y
    1/2+z,1/4-x,3/4-y
    -x,1/2-z,1/2-y
    1/2-x,-z,1/2-y
    1/2-x,1/2-z,-y
    -x,1/4+z,1/4+y
    1/2-x,3/4+z,1/4+y
    1/2-x,1/4+z,3/4+y
    1/4+x,-z,1/4+y
    3/4+x,1/2-z,1/4+y
    3/4+x,-z,3/4+y
    3/4+x,3/4+z,-y
    1/4+x,1/4+z,-y
    1/4+x,3/4+z,1/2-y
    -x,1/2-y,1/2-z
    1/2-x,-y,1/2-z
    1/2-x,1/2-y,-z
    -x,1/4+y,1/4+z
    1/2-x,3/4+y,1/4+z
    1/2-x,1/4+y,3/4+z
    1/4+x,1/4+y,-z
    3/4+x,3/4+y,-z
    3/4+x,1/4+y,1/2-z
    1/4+x,1/2-y,3/4+z
    3/4+x,-y,3/4+z
    3/4+x,1/2-y,1/4+z
    +y,1/4-x,1/4-z
    1/2+y,3/4-x,1/4-z
    1/2+y,1/4-x,3/4-z
    1/4-y,1/4-x,+z
    3/4-y,3/4-x,+z
    3/4-y,1/4-x,1/2+z
    1/4-y,1/2+x,3/4-z
    3/4-y,+x,3/4-z
    3/4-y,1/2+x,1/4-z
    +y,1/2+x,1/2+z
    1/2+y,+x,1/2+z
    1/2+y,1/2+x,+z
    -y,1/2-z,1/2-x
    1/2-y,-z,1/2-x
    1/2-y,1/2-z,-x
    1/4+y,1/4+z,-x
    3/4+y,3/4+z,-x
    3/4+y,1/4+z,1/2-x
    -y,1/4+z,1/4+x
    1/2-y,3/4+z,1/4+x
    1/2-y,1/4+z,3/4+x
    1/4+y,1/2-z,3/4+x
    3/4+y,-z,3/4+x
    3/4+y,1/2-z,1/4+x
    +z,1/4-y,1/4-x
    1/2+z,3/4-y,1/4-x
    1/2+z,1/4-y,3/4-x
    +z,1/2+y,1/2+x
    1/2+z,+y,1/2+x
    1/2+z,1/2+y,+x
    1/4-z,1/2+y,3/4-x
    3/4-z,+y,3/4-x
    3/4-z,1/2+y,1/4-x
    1/4-z,1/4-y,+x
    3/4-z,3/4-y,+x
    3/4-z,1/4-y,1/2+x
    -z,1/2-x,1/2-y
    1/2-z,-x,1/2-y
    1/2-z,1/2-x,-y
    3/4+z,-x,3/4+y
    1/4+z,1/2-x,3/4+y
    1/4+z,-x,1/4+y
    3/4+z,1/4+x,1/2-y
    1/4+z,3/4+x,1/2-y
    1/4+z,1/4+x,-y
    -z,3/4+x,3/4+y
    1/2-z,1/4+x,3/4+y
    1/2-z,3/4+x,1/4+y
    +x,1/2+z,1/2+y
    1/2+x,+z,1/2+y
    1/2+x,1/2+z,+y
    +x,3/4-z,3/4-y
    1/2+x,1/4-z,3/4-y
    1/2+x,3/4-z,1/4-y
    3/4-x,+z,3/4-y
    1/4-x,1/2+z,3/4-y
    1/4-x,+z,1/4-y
    1/4-x,1/4-z,+y
    3/4-x,3/4-z,+y
    3/4-x,1/4-z,1/2+y
_cell_length_a     7.3091(6)
_cell_length_b     7.3091(6)
_cell_length_c     7.3091(6)
_cell_angle_alpha     90.000(7)
_cell_angle_beta     90.000(7)
_cell_angle_gamma     90.000(7)
_cell_volume     390.47(10)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     6
_cell_measurement_theta_min     24.23
_cell_measurement_theta_max     24.23
_cell_measurement_temperature     293
_exptl_crystal_description     ?
_exptl_crystal_colour     black
_exptl_crystal_size_max     0.018
_exptl_crystal_size_mid     0.016
_exptl_crystal_size_min     0.0032
_exptl_crystal_density_diffrn     9.411
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     952
_exptl_absorpt_coefficient_mu     60.63
_exptl_absorpt_correction_type     analytical
_exptl_absorpt_process_details     xtal_ABSORB
_exptl_absorpt_correction_T_min     0.433
_exptl_absorpt_correction_T_max     0.823
_diffrn_ambient_temperature     293
_diffrn_radiation_type     xray_vertical_wiggler
_diffrn_radiation_wavelength     0.75
_diffrn_radiation_source     BL14A_Photon_Factory
_diffrn_radiation_monochromator     Si(111)_double
_diffrn_measurement_device     'BL14A 4 circle'
_diffrn_measurement_method     \w-2\q
_diffrn_reflns_number     3381
_diffrn_reflns_av_R_equivalents     .067
_diffrn_reflns_av_sigmaI/netI     .019
_diffrn_reflns_theta_min     5.1
_diffrn_reflns_theta_max     55.17
_diffrn_reflns_limit_h_min     -16
_diffrn_reflns_limit_h_max     16
_diffrn_reflns_limit_k_min     -16
_diffrn_reflns_limit_k_max     16
_diffrn_reflns_limit_l_min     -16
_diffrn_reflns_limit_l_max     16
_diffrn_reflns_reduction_process     xtal_DIFFDAT_ADDREF
_diffrn_standards_number     6
_diffrn_standards_interval_count     94
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     3.7
_reflns_number_total     116
_reflns_number_observed     116
_reflns_observed_criterion     I>2\s(I)
_refine_ls_structure_factor_coef     F
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     .00956
_refine_ls_R_factor_obs     .00956
_refine_ls_wR_factor_all     .01098
_refine_ls_wR_factor_obs     .01098
_refine_ls_goodness_of_fit_all     1.403
_refine_ls_goodness_of_fit_obs     1.403
_refine_ls_number_reflns     116
_refine_ls_number_parameters     4
_refine_ls_number_restraints     0
_refine_ls_number_constraints     0
_refine_ls_hydrogen_treatment     ?
_refine_ls_weighting_scheme     'w = 1/\s^2^(F)'
_refine_ls_shift/esd_max     0
_refine_ls_shift/esd_mean     0
_refine_diff_density_max     1.58
_refine_diff_density_min     -0.70
_refine_ls_extinction_method     'Maslen & Spadaccini (1993)'
_refine_ls_extinction_coef     .00000
_refine_ls_abs_structure_details     none
_refine_ls_abs_structure_Flack     0
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    Ho ? -.251404 5.132 Int._Tables_Vol_C
    Fe ? .35321 .934998 Int._Tables_Vol_C
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_thermal_displace_type
    _atom_site_calc_flag
    _atom_site_calc_attached_atom
    Ho .12500 .12500 .12500 .006726(18) Uani ? ?
    Fe .50000 .50000 .50000 .00667(4) Uani ? ?
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
    Ho .006726(18) .006726(18) .006726(18) .00000 .00000 .00000
    Fe .00667(4) .00667(4) .00667(4) .00012(5) .00012(5) .00012(5)
_cod_database_code 2002984