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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/99/1529965.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_1529965
loop_
_publ_author_name
'Ganne, M.'
'Boumaza, A.'
'Dion, M.'
_publ_section_title
;
 Le bronze rouge Tl0.33 Mo O3: structure et proprietes physiques
;
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, 
Sciences Chimiques (1966-)
;
_journal_page_first              635
_journal_page_last               640
_journal_volume                  302
_journal_year                    1986
_chemical_formula_sum            'Mo O3 Tl0.33'
_chemical_name_systematic        'Tl0.33 Mo O3'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.09
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   14.541
_cell_length_b                   7.78
_cell_length_c                   6.414
_cell_volume                     724.554
_citation_journal_id_ASTM        CHDCAQ
_cod_data_source_file            Ganne_CHDCAQ_1986_1246.cif
_cod_data_source_block           Mo1O3Tl0.33
_cod_original_cell_volume        724.5544
_cod_original_formula_sum        'Mo1 O3 Tl0.33'
_cod_database_code               1529965
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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
O2 O-2 0.2227 0 0.522 1 0.0
O1 O-2 0 0.2591 0 1 0.0
Tl1 Tl 0.31508 0 0.17448 1 0.0
O7 O-2 0.0817 0.2377 0.5913 1 0.0
O6 O-2 0.1701 0.2564 0.2109 1 0.0
O5 O-2 0.0379 0 0.3106 1 0.0
Mo2 Mo+6 0.0583 0.26065 0.26912 1 0.0
O3 O-2 0.1484 0 0.901 1 0.0
Mo1 Mo+6 0.12008 0 0.6412 1 0.0
O4 O-2 0.5406 0 0.293 1 0.0
