#------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/41/2004120.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_2004120
loop_
_publ_author_name
'Auray, Martine'
'Quarton, Michel'
'Leblanc, Marc'
_publ_section_title
;
Zirconium Tungstate
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              2210
_journal_page_last               2213
_journal_paper_doi               10.1107/s0108270195001545
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'O8 W2 Zr'
_chemical_formula_weight         586.92
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_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_measurement_temperature    293
_cell_volume                     767.22(5)
_exptl_crystal_density_diffrn    5.081
_exptl_crystal_density_meas      4.90(5)
_cod_database_code               2004120
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,-y,1/2+z
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
z,x,y
1/2+z,1/2-x,-y
1/2-z,-x,1/2+y
-z,1/2+x,1/2-y
y,z,x
-y,1/2+z,1/2-x
1/2+y,1/2-z,-x
1/2-y,-z,1/2+x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
Zr .7515(3) .7515 .7515 1.09(4)
W(1) .3509(3) .3509 .3509 1.26(9)
W(2) .0913(3) .0913 .0913 1.52(9)
O(1) .2414(4) .2414 .2414 2.15(5)
O(2) .9833(3) .9833 .9833 3.45(5)
O(3) .3058(3) .3200(4) .5381(3) 1.3(1)
O(4) .1974(3) .1883(4) .9573(3) 3.3(1)
_cod_duplicate_entry 1000396
