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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010534.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_1010534
_chemical_name_systematic          'Cadmium sulfate 2.66-hydrate'
_chemical_formula_structural       'Cd S O4 (H2 O)2.667'
_chemical_formula_sum              'H5.334 Cd O6.667 S'
_publ_section_title
;
The Crystal Structure of (Cd S O~4~)~3~ (H~2~ O)~8~
;
_publ_author_name                  'Lipson, H'
_journal_name_full
;
Proceedings of the Royal Society of London, Series A: Mathematical and
Physical Sciences (76,1906-)
;
_journal_coden_ASTM                PRLAAZ
_journal_volume                    156
_journal_year                      1936
_journal_page_first                462
_journal_page_last                 470
_cell_length_a                     9.44(1)
_cell_length_b                     11.87(1)
_cell_length_c                     16.49(2)
_cell_angle_alpha                  90
_cell_angle_beta                   117.27(8)
_cell_angle_gamma                  90
_cell_volume                       1642.4
_cell_formula_units_Z              12
_symmetry_space_group_name_H-M     'I 1 2/a 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,y,-z'
  '-x,-y,-z'
  '1/2+x,-y,z'
  '1/2+x,1/2+y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cd2+   2.000
  S6+    6.000
  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
  Cd1   Cd2+   4 e 0.25 0.05 0. 1.  0 d
  Cd2   Cd2+   8 f 0.12 0.405 0.155 1.  0 d
  S1    S6+    4 e 0.25 0.5 0. 1.  0 d
  O1    O2-    8 f 0.39 0.58 0.02 1.  0 d
  O2    O2-    8 f 0.29 0.42 0.08 1.  0 d
  S2    S6+    8 f 0.08 0.12 0.13 1.  0 d
  O3    O2-    8 f 0.17 0.03 0.11 1.  0 d
  O4    O2-    8 f 0.09 0.23 0.09 1.  0 d
  O5    O2-    8 f -0.1 0.08 0.09 1.  0 d
  O6    O2-    8 f 0.15 0.13 0.23 1.  0 d
  O7    O2-    8 f 0.41 0.19 0.1 1.  2 d
  O8    O2-    8 f 0.61 0.39 0.21 1.  2 d
  O9    O2-    8 f 0.49 0.58 0.23 1.  2 d
  O10   O2-    8 f 0.69 0.24 0.11 1.  2 d
  H1    H1+    8 f -1. -1. -1. 8.  0 dum