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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/1/52/40/1524096.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_1524096
loop_
_publ_author_name
'Bouchama, M.'
'Tournoux, M.'
_publ_section_title
;
 Polytypisme de Tl Sb O3
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              80
_journal_page_last               92
_journal_volume                  12
_journal_year                    1975
_chemical_formula_sum            'O3 Sb Tl'
_chemical_name_systematic        'Tl Sb O3'
_space_group_IT_number           182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   5.31
_cell_length_b                   5.31
_cell_length_c                   14.25
_cell_volume                     347.964
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Bouchama_RVCMA8_1975_591.cif
_cod_data_source_block           O3Sb1Tl1
_cod_original_cell_volume        347.9642
_cod_original_formula_sum        'O3 Sb1 Tl1'
_cod_database_code               1524096
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-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
Sb2 Sb+5 0.3333 0.6667 0.25 1 0.0
O1 O-2 0.963 0.297 0.181 1 0.0
Tl1 Tl+1 0.3333 0.6667 0.068 1 0.0
Sb1 Sb+5 0 0 0.25 1 0.0
