#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/12/1511279.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_1511279
loop_
_publ_author_name
'Marchand, R.'
'Piffard, Y.'
'Tournoux, M.'
_publ_section_title
;
 Structure et filiation structurale de phases Tl6 S O7 et Tl3 B O3
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              210
_journal_page_last               217
_journal_volume                  12
_journal_year                    1975
_chemical_formula_sum            'B O3 Tl3'
_chemical_name_systematic        'Tl3 B O3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.275
_cell_length_b                   9.275
_cell_length_c                   3.775
_cell_volume                     281.239
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            boron0-1_403.cif
_cod_data_source_block           B1O3Tl3
_cod_original_cell_volume        281.2389
_cod_original_formula_sum        'B1 O3 Tl3'
_cod_database_code               1511279
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
-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
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
O1 O-2 0.5695 0.1593 0.25 1 0.0
B1 B+3 0.6667 0.3333 0.25 1 0.0
Tl1 Tl+1 0.2963 0.3551 0.25 1 0.0
