#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/49/1534969.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_1534969
loop_
_publ_author_name
'Beck, J.'
'Fischer, A.'
_publ_section_title
;
 Se Br3 (Al Br4) und Te I3 (Al I4) - zwei weitere Vertreter des S Cl3 (Al
 Cl4)-Strukturtyps
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1042
_journal_page_last               1046
_journal_volume                  621
_journal_year                    1995
_chemical_formula_sum            'Al Br7 Se'
_chemical_name_systematic        '(Se Br3) (Al Br4)'
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.21
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.707
_cell_length_b                   6.639
_cell_length_c                   14.28
_cell_volume                     623.725
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Beck_ZAACAB_1995_1724.cif
_cod_data_source_block           Al1Br7Se1
_cod_original_cell_volume        623.7252
_cod_original_formula_sum        'Al1 Br7 Se1'
_cod_database_code               1534969
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
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
Br2 Br-1 0.2585 0.3873 -0.0385 1 0.0
Br7 Br-1 -0.5128 0.8491 -0.2914 1 0.0
Br6 Br-1 -0.3281 0.3399 -0.1741 1 0.0
Br1 Br-1 -0.1218 0.3737 0.1055 1 0.0
Br5 Br-1 -0.3786 0.8865 -0.0237 1 0.0
Se1 Se+4 0 0.5773 0 1 0.0
Al1 Al+3 -0.3003 0.9936 -0.1653 1 0.0
Br3 Br-1 0.1892 0.8001 0.1057 1 0.0
Br4 Br-1 0.0292 0.8962 -0.1681 1 0.0
