#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010213.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_1010213
_chemical_name_systematic          'Nickel hexachlorostannate hexahydrate'
_chemical_formula_structural       'Ni Sn Cl6 (H2 O)6'
_chemical_formula_sum              'H12 Cl6 Ni O6 Sn'
_publ_section_title
;
On the crystal structure of nickel chlorostannate hexahydrate
;
_publ_author_name                  'Pauling, L'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    72
_journal_year                      1930
_journal_page_first                482
_journal_page_last                 492
_cell_length_a                     7.09
_cell_length_b                     7.09
_cell_length_c                     7.09
_cell_angle_alpha                  96.75
_cell_angle_beta                   96.75
_cell_angle_gamma                  96.75
_cell_volume                       348.3
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'R -3 R'
_symmetry_Int_Tables_number        148
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  '-x,-y,-z'
  '-y,-z,-x'
  '-z,-x,-y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sn4+   4.000
  Ni2+   2.000
  Cl1-  -1.000
  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
  Sn1   Sn4+   1 a 0. 0. 0. 1.  0 d
  Ni1   Ni2+   1 b 0.5 0.5 0.5 1.  0 d
  Cl1   Cl1-   6 f 0.14 0.31 -0.06 1.  0 d
  O1    O2-    6 f 0.64 0.81 0.44 1.  2 d
  H1    H1+    6 f -1. -1. -1. 2.  0 dum