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#$Date: 2016-02-14 14:26:36 +0000 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/24/2002480.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_2002480
loop_
_publ_author_name
'Bluhm, K'
'Mueller-Buschbaum, Hk'
'Walz, L'
_publ_section_title
;
Eine synthetische Variante des Hulstit-Typs: Ni5.33 Sb0.67 B2 O10
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              339
_journal_page_last               345
_journal_paper_doi               10.1016/0022-5088(90)90069-V
_journal_volume                  158
_journal_year                    1990
_chemical_formula_structural     'Ni5.33 Sb0.67 (B2 O10)'
_chemical_formula_sum            'B2 Ni5.33 O10 Sb0.67'
_chemical_name_systematic        'Nickel antimony borate (5.3/0.7/2)'
_space_group_IT_number           10
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      10
_symmetry_space_group_name_Hall  '-P 2y'
_symmetry_space_group_name_H-M   'P 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.49(2)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.355(2)
_cell_length_b                   3.021(2)
_cell_length_c                   10.563(4)
_cell_volume                     170.4
_refine_ls_R_factor_all          0.071
_cod_original_formula_sum        'B2 Ni5.33 O10 Sb.67'
_cod_database_code               2002480
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Sb1 Sb5+ 1 a 0. 0. 0. 0.67 0 d
Ni1 Ni2+ 1 a 0. 0. 0. 0.33 0 d
Ni2 Ni2+ 1 c 0. 0. 0.5 1. 0 d
Ni3 Ni2+ 1 e 0.5 0.5 0. 1. 0 d
Ni4 Ni2+ 1 g 0.5 0. 0.5 1. 0 d
Ni5 Ni2+ 2 n 0.2154(5) 0.5 0.2814(3) 1. 0 d
B1 B3+ 2 m 0.291(4) 0. 0.763(2) 1. 0 d
O1 O2- 2 m 0.491(2) 0. 0.300(1) 1. 0 d
O2 O2- 2 n 0.246(3) 0.5 0.470(1) 1. 0 d
O3 O2- 2 m 0.056(2) 0. 0.699(1) 1. 0 d
O4 O2- 2 m 0.311(2) 0. 0.895(1) 1. 0 d
O5 O2- 2 n 0.181(3) 0.5 0.094(1) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sb5+ 5.000
Ni2+ 2.000
B3+ 3.000
O2- -2.000