#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/65/1526521.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_1526521
loop_
_publ_author_name
'Kameswari, U.'
'Sleight, A.W.'
'Evans, J.S.O.'
_publ_section_title
;
 Rapid synthesis of Zr W2 O8 and related phases, and structure refinement
 of Zr W Mo O8
;
_journal_name_full
'International Journal of Inorganic Materials'
_journal_page_first              333
_journal_page_last               337
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'Mo1.023 O8 W0.977 Zr'
_chemical_name_systematic        'Zr (W0.977 Mo1.023) O8'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.14
_cell_length_b                   9.14
_cell_length_c                   9.14
_cell_volume                     763.552
_citation_journal_id_ASTM        IJIMCR
_cod_data_source_file            Kameswari_IJIMCR_2000_118.cif
_cod_data_source_block           Mo1.023O8W0.977Zr1
_cod_original_formula_sum        'Mo1.023 O8 W0.977 Zr1'
_cod_database_code               1526521
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
z,x,y
-z+1/2,-x,y+1/2
z+1/2,-x+1/2,-y
-z,x+1/2,-y+1/2
y,z,x
y+1/2,-z+1/2,-x
-y,z+1/2,-x+1/2
-y+1/2,-z,x+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,z-1/2
-z,-x,-y
z-1/2,x,-y-1/2
-z-1/2,x-1/2,y
z,-x-1/2,y-1/2
-y,-z,-x
-y-1/2,z-1/2,x
y,-z-1/2,x-1/2
y-1/2,z,-x-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Zr1 Zr+4 0 0 0 1 0.0
O2 O-2 0.5 0.5 0.5 1 0.0
W2 W+6 0.6034 0.6034 0.6034 0.244 0.0
W1 W+6 0.3381 0.3381 0.3381 0.244 0.0
O1 O-2 0.209 0.4326 0.444 0.833 0.0
Mo1 Mo+6 0.3381 0.3381 0.3381 0.256 0.0
Mo2 Mo+6 0.6034 0.6034 0.6034 0.256 0.0
O3 O-2 0.2326 0.2326 0.2326 1 0.0
