#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001750.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_1001750
_chemical_name_systematic
;
Cadmium molybdenum tungsten oxide (1/0.5/0.5/4)
;
_chemical_formula_structural       'Cd ((Mo0.5 W0.5) O4)'
_chemical_formula_sum            'Cd Mo0.5 O4 W0.5'
_[local]_cod_chemical_formula_sum_orig 'Cd Mo.5 O4 W.5'
_publ_section_title
;
Crystallographic and catalytic studies of a new solid solution Cd Mox
W1-x O4
;
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_[local]_cod_cif_authors_sg_H-M  'I 41/a Z'
loop_
_publ_author_name
  'Daturi, M'
  'Borel, M M'
  'Leclaire, A'
  'Savary, L'
  'Costentin, G'
  'Lavalley, J C'
  'Raveau, B'
_journal_name_full
;
Journal de Chimie Physique et de Physico-Chimie Biologique
;
_journal_coden_ASTM                JCPBAN
_journal_volume                    93
_journal_year                      1996
_journal_page_first                2043
_journal_page_last                 2053
_cell_length_a                     5.1625(4)
_cell_length_b                     5.1625(4)
_cell_length_c                     11.1616(9)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       297.5
_cell_formula_units_Z              4
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2-y,z'
  '3/4-y,1/4+x,1/4+z'
  '1/4+y,1/4-x,1/4+z'
  '-x,-y,-z'
  'x,1/2+y,-z'
  '1/4+y,3/4-x,3/4-z'
  '3/4-y,3/4+x,3/4-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/4-y,3/4+x,3/4+z'
  '3/4+y,3/4-x,3/4+z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '3/4+y,1/4-x,1/4-z'
  '1/4-y,1/4+x,1/4-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  W6+    6.000
  Mo6+   6.000
  Cd2+   2.000
  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
  W1    W6+    4 a 0. 0.25 0.125 0.50(1)  0 d
  Mo1   Mo6+   4 a 0. 0.25 0.125 0.50(1)  0 d
  Cd1   Cd2+   4 b 0. 0.25 0.625 1.  0 d
  O1    O2-   16 f 0.243(1) 0.092(1) 0.0381(5) 1.  0 d
_refine_ls_R_factor_all            0.021