#------------------------------------------------------------------------------
#$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/03/1000396.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_1000396
loop_
_publ_author_name
'Auray, M'
'Quarton, M'
'Leblanc, M'
_publ_section_title              'Zirconium tungstate'
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              2210
_journal_page_last               2213
_journal_volume                  51
_journal_year                    1995
_chemical_formula_structural     'Zr (W O4)2'
_chemical_formula_sum            'O8 W2 Zr'
_chemical_name_systematic        'Zirconium tungstate'
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.1546(2)
_cell_length_b                   9.1546(2)
_cell_length_c                   9.1546(2)
_cell_volume                     767.2
_exptl_crystal_density_meas      4.9(5)
_refine_ls_R_factor_all          0.027
_cod_database_code               1000396
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
1/2+x,1/2-y,-z
1/2+y,1/2-z,-x
1/2+z,1/2-x,-y
-x,1/2+y,1/2-z
-y,1/2+z,1/2-x
-z,1/2+x,1/2-y
1/2-x,-y,1/2+z
1/2-y,-z,1/2+x
1/2-z,-x,1/2+y
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
Zr1 Zr4+ 4 a 0.7515(3) 0.7515(3) 0.7515(3) 1. 0 d
W1 W6+ 4 a 0.3509(3) 0.3509(3) 0.3509(3) 1. 0 d
W2 W6+ 4 a 0.0913(3) 0.0913(3) 0.0913(3) 1. 0 d
O1 O2- 4 a 0.2414(4) 0.2414(4) 0.2414(4) 1. 0 d
O2 O2- 4 a 0.9833(3) 0.9833(3) 0.9833(3) 1. 0 d
O3 O2- 12 b 0.3058(3) 0.3200(4) 0.5381(3) 1. 0 d
O4 O2- 12 b 0.1974(3) 0.1883(4) 0.9573(3) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Zr4+ 4.000
W6+ 6.000
O2- -2.000