#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/44/9014468.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9014468
loop_
_publ_author_name
'Gerand, B.'
'Nowogrocki, G.'
'Figlarz, M.'
_publ_section_title
;
 A new tungsten trioxide hydrate, W O3 (H2 O)0.33: Preparation,
 characterization and crystallographic study
 _cod_database_code 1004050
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              312
_journal_page_last               320
_journal_paper_doi               10.1016/0022-4596(81)90062-1
_journal_volume                  38
_journal_year                    1981
_chemical_formula_sum            'O10 W3'
_space_group_IT_number           42
_symmetry_space_group_name_Hall  'F 2 -2'
_symmetry_space_group_name_H-M   'F m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.359
_cell_length_b                   12.513
_cell_length_c                   7.704
_cell_formula_units_Z            4
_cell_volume                     709.409
_database_code_amcsd             0013416
_exptl_crystal_density_diffrn    6.662
_cod_duplicate_entry             1004050
_cod_original_formula_sum        'W3 O10'
_cod_database_code               9014468
_amcsd_formula_title             'H0.66 O3.33 W'
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
x,-y,z
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
1/2+x,1/2-y,z
-x,y,z
-x,1/2+y,1/2+z
1/2-x,y,1/2+z
1/2-x,1/2+y,z
-x,-y,z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
W1 0.25000 0.25000 0.00000
W2 0.00000 0.00000 -0.06000
O1 0.00000 0.29000 0.04000
O2 0.17000 0.11000 0.01000
O3 0.25000 0.25000 0.25000
O4 0.00000 0.00000 0.21000
O5 0.00000 0.00000 0.70000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013416
