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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/10/1541040.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_1541040
loop_
_publ_author_name
'Thiele, G.'
'Rotter, H.W.'
'Schmidt, K.D.'
_publ_section_title
;
 Die Kristallstrukturen und Phasentransformationen von Rb Ge Br3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              7
_journal_page_last               16
_journal_volume                  559
_journal_year                    1988
_chemical_formula_sum            'Br3 Ge Rb'
_chemical_name_systematic        'Rb Ge Br3'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.129
_cell_length_b                   11.249
_cell_length_c                   7.611
_cell_volume                     695.974
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Thiele_ZAACAB_1988_12.cif
_cod_data_source_block           Br3Ge1Rb1
_cod_original_cell_volume        695.9736
_cod_original_sg_symbol_Hall     'P 2c -2n (-x,z,y)'
_cod_original_formula_sum        'Br3 Ge1 Rb1'
_cod_database_code               1541040
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x+1/2,y+1/2,z+1/2
x+1/2,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
Br2 Br-1 0.4932 0.7395 0.5674 1 0.0
Ge1 Ge+2 0.4709 0.5191 0.5143 1 0.0
Br3 Br-1 0.2163 0.5353 0.323 1 0.0
Rb1 Rb+1 0.4288 0.75 0.0264 1 0.0
Br1 Br-1 0.3166 0.4713 0.7931 1 0.0
