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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/8/10/39/8103998.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_8103998
loop_
_publ_author_name
'Troyanov, S.I.'
'Krahl, T.'
'Kemnitz, E.'
_publ_section_title
;
 Crystal structures of Ga X3 (X = Cl, Br, I) and Al I3
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              88
_journal_page_last               92
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'Br3 Ga'
_chemical_name_systematic        'Ga Br3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.81
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.874
_cell_length_b                   5.637
_cell_length_c                   11.006
_cell_volume                     524.166
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Troyanov_ZEKRDZ_2004_1239.cif
_cod_data_source_block           Br3Ga1
_cod_original_cell_volume        524.1656
_cod_original_formula_sum        'Br3 Ga1'
_cod_database_code               8103998
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,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
Br1 Br-1 0.32967 0.2439 0.20961 1 0.0
Br2 Br-1 0.3276 -0.2515 0.95305 1 0.0
Ga1 Ga+3 0.20053 -0.0022 0.04962 1 0.0
Br3 Br-1 0.00135 0.2233 0.885 1 0.0
