#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/06/1510600.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_1510600
loop_
_publ_author_name
'Beck, J.'
'Wagner, S.'
_publ_section_title
;
 Lewis-Saeure-Base-Reaktionen von Goldtrihalogeniden mit
 Bismuttrihalogeniden - Synthese und Kristallstrukturen von AuBiX6 (X =
 Cl, Br)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1810
_journal_page_last               1814
_journal_paper_doi               10.1002/zaac.19976231125
_journal_volume                  623
_journal_year                    1997
_chemical_formula_sum            'Au Bi Cl6'
_chemical_name_systematic        '(Bi Cl2) (Au Cl4)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.98
_cell_angle_beta                 94.73
_cell_angle_gamma                110.06
_cell_formula_units_Z            4
_cell_length_a                   6.983
_cell_length_b                   10.093
_cell_length_c                   13.81
_cell_volume                     867.356
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            gold_82.cif
_cod_data_source_block           Au1Bi1Cl6
_cod_original_formula_sum        'Au1 Bi1 Cl6'
_cod_database_code               1510600
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-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
Cl9 Cl-1 0.5956 0.183 0.7387 1 0.0
Au3 Au+3 0 0 0 1 0.0
Cl12 Cl-1 0.7348 0.4327 0.9787 1 0.0
Bi2 Bi+3 0.96336 0.31386 0.8706 1 0.0
Cl1 Cl-1 0.6342 0.7273 0.7518 1 0.0
Au1 Au+3 0.29681 0.6304 0.76699 1 0.0
Cl5 Cl-1 0.7238 0.3804 0.5036 1 0.0
Cl10 Cl-1 0.9841 0.0514 0.7236 1 0.0
Cl3 Cl-1 -0.0423 0.5343 0.7831 1 0.0
Cl8 Cl-1 -0.2499 -0.1971 0.0251 1 0.0
Cl4 Cl-1 0.3348 0.4178 0.7775 1 0.0
Cl7 Cl-1 -0.2435 0.0931 -0.0351 1 0.0
Au2 Au+3 0.5 0.5 0.5 1 0.0
Cl11 Cl-1 0.7567 0.0478 0.4868 1 0.0
Cl6 Cl-1 0.7711 0.7122 0.5114 1 0.0
Cl2 Cl-1 0.2549 0.8391 0.7535 1 0.0
Bi1 Bi+3 0.60863 0.92839 0.62006 1 0.0
