#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun 14 de Feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/17/1001750.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
loop_
_publ_author_name
'Daturi, M'
'Borel, M M'
'Leclaire, A'
'Savary, L'
'Costentin, G'
'Lavalley, J C'
'Raveau, B'
_publ_section_title
;
Crystallographic and catalytic studies of a new solid solution Cd Mox
W1-x O4
;
_journal_coden_ASTM              JCPBAN
_journal_name_full
;
Journal de Chimie Physique et de Physico-Chimie Biologique
;
_journal_page_first              2043
_journal_page_last               2053
_journal_volume                  93
_journal_year                    1996
_chemical_formula_structural     'Cd ((Mo0.5 W0.5) O4)'
_chemical_formula_sum            'Cd Mo0.5 O4 W0.5'
_chemical_name_systematic
;
Cadmium molybdenum tungsten oxide (1/0.5/0.5/4)
;
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1625(4)
_cell_length_b                   5.1625(4)
_cell_length_c                   11.1616(9)
_cell_volume                     297.5
_refine_ls_R_factor_all          0.021
_cod_original_sg_symbol_H-M      'I 41/a Z'
_cod_original_formula_sum        'Cd Mo.5 O4 W.5'
_cod_database_code               1001750
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
W6+ 6.000
Mo6+ 6.000
Cd2+ 2.000
O2- -2.000
