#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/12/1011275.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_1011275
_chemical_name_systematic          'Nickel hexaaquahexoxoantimonate hexahydrate'
_chemical_name_mineral             'Bottinoite'
_chemical_compound_source          'synthetic'
_chemical_formula_structural       'Ni (Sb2 O6 (H2 O)6) (H2 O)6'
_chemical_formula_sum              'H24 Ni O18 Sb2'
_publ_section_title
;
On the crystal-structure of magnesium- and nickelantimonate.
;
loop_
_publ_author_name                  'Beintema, J'
_journal_name_full
;
Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen
;
_journal_coden_ASTM                PKNAAU
_journal_volume                    39
_journal_year                      1936
_journal_page_first                241
_journal_page_last                 252
_cell_length_a                     16.019
_cell_length_b                     16.019
_cell_length_c                     9.768
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       2170.7
_cell_formula_units_Z              6
_exptl_crystal_density_meas        2.77
_symmetry_space_group_name_H-M     'P -3 1 m'
_symmetry_Int_Tables_number        162
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'y,x,z'
  '-x,y-x,z'
  'x-y,-y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  '-y,-x,-z'
  'x,x-y,-z'
  'y-x,y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ni2+   2.000
  Sb5+   5.000
  O2-   -2.000
  H1+    1.000
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
  Ni1   Ni2+   6 k 0.3333 0. 0. 1.  0 d
  Sb1   Sb5+   1 a 0. 0. 0. 1.  0 d
  Sb2   Sb5+   1 b 0. 0. 0.5 1.  0 d
  Sb3   Sb5+   2 c 0.3333 0.6667 0. 1.  0 d
  Sb4   Sb5+   2 d 0.3333 0.6667 0.5 1.  0 d
  Sb5   Sb5+   6 k 0.3333 0. 0.5 1.  0 d
  O1    O2-    6 k 0.1111 0. 0.125 1.  0 d
  O2    O2-    6 ? -1. -1. -1. 17.  0 dum
  H1    H1+   12 l -1. -1. -1. 12.  0 dum
_cod_database_code 1011275