#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/51/9015160.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_9015160
loop_
_publ_author_name
'Labbe, P. H.'
'Goreaud, M.'
'Raveau, B.'
'Monier, J. C.'
_publ_section_title
;
 Etude comparative des structures Mx WO3 de type bronze hexagonal.
 I. Analyse structurale des bronzes de composition  M0.30 W O3 .
 Stereochimie des elements M=Rb, Tl et In
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1433
_journal_page_last               1438
_journal_paper_doi               10.1107/S0567740878005841
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'O9 Tl0.9 W3'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.3810
_cell_length_b                   7.3810
_cell_length_c                   7.5091
_cell_formula_units_Z            2
_cell_volume                     354.282
_database_code_amcsd             0009640
_exptl_crystal_density_diffrn    8.244
_cod_duplicate_entry             1001021
_cod_original_formula_sum        'W3 O9 Tl.9'
_cod_database_code               9015160
_amcsd_formula_title             'O3 Tl0.3 W'
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,z
x,x-y,-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,1/2+z
y,x,1/2-z
y,-x+y,-z
-y,x-y,z
x-y,-y,z
-x+y,y,-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,1/2+z
-x,-x+y,1/2-z
x-y,x,-z
-x+y,-x,z
y,x,z
-y,-x,-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,1/2+z
x-y,-y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
W1 0.00000 0.47744 0.25000 1.00000
O1 0.21180 0.42000 0.25000 1.00000
O2 0.00000 0.46350 -0.00200 0.50000
Tl1 0.00000 0.00000 0.03070 0.45000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009640
