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#$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/17/1001799.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_1001799
loop_
_publ_author_name
'Daturi, M'
'Busca, G'
'Borel, M M'
'Leclaire, A'
'Piaggio, P'
_publ_section_title
;
Vibrational and XRD study of the system Cd W O4 - Cd Mo O4
;
_journal_coden_ASTM              JPCHAX
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              4358
_journal_page_last               4369
_journal_paper_doi               10.1021/jp963008x
_journal_volume                  101
_journal_year                    1997
_chemical_formula_structural     'Cd (W O4)'
_chemical_formula_sum            'Cd O4 W'
_chemical_name_systematic        'Cadmium tungstate'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2b'
_symmetry_space_group_name_H-M   'P 1 1 2/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                91.47(1)
_cell_formula_units_Z            2
_cell_length_a                   5.026(1)
_cell_length_b                   5.078(1)
_cell_length_c                   5.867(1)
_cell_volume                     149.7
_refine_ls_R_factor_all          0.054
_cod_database_code               1001799
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2-y,z
-x,-y,-z
x,1/2+y,-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+ 2 e 0. 0.25 0.1784(3) 1. 0 d
Cd1 Cd2+ 2 f 0.5 0.75 0.3020(5) 1. 0 d
O1 O2- 4 g 0.189(2) 0.454(3) 0.901(2) 1. 0 d
O2 O2- 4 g 0.250(2) 0.393(3) 0.360(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
W6+ 6.000
Cd2+ 2.000
O2- -2.000