#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/24/2002479.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_2002479
_chemical_name_systematic          'Nickel antimony borate (5.3/0.7/2)'
_chemical_formula_structural       '(Ni5.33 Sb0.67) (B2 O10)'
_chemical_formula_sum            'B2 Ni5.33 O10 Sb0.67'
_[local]_cod_chemical_formula_sum_orig 'B2 Ni5.33 O10 Sb.67'
_publ_section_title
;
Eine synthetische Variante des Hulstit-Typs: Ni5.33 Sb0.67 B2 O10
;
loop_
_publ_author_name
  'Bluhm, K'
  'Mueller-Buschbaum, Hk'
  'Walz, L'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_volume                    158
_journal_year                      1990
_journal_page_first                339
_journal_page_last                 345
_cell_length_a                     5.376(2)
_cell_length_b                     3.031(1)
_cell_length_c                     10.603(3)
_cell_angle_alpha                  90
_cell_angle_beta                   94.47(2)
_cell_angle_gamma                  90
_cell_volume                       172.2
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 1 2/m 1'
_symmetry_Int_Tables_number        10
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '-x,-y,-z'
  'x,-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sb5+   5.000
  Ni2+   2.000
  B3+    3.000
  O2-   -2.000
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 0.2157(4) 0.5 0.2815(2) 1.  0 d
  B1    B3+    2 m 0.291(3) 0. 0.764(2) 1.  0 d
  O1    O2-    2 m 0.493(2) 0. 0.300(1) 1.  0 d
  O2    O2-    2 n 0.245(2) 0.5 0.468(1) 1.  0 d
  O3    O2-    2 m 0.057(2) 0. 0.699(1) 1.  0 d
  O4    O2-    2 m 0.309(2) 0. 0.892(1) 1.  0 d
  O5    O2-    2 n 0.182(2) 0.5 0.096(1) 1.  0 d
_refine_ls_R_factor_all            0.079
_cod_database_code 2002479