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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/06/1510613.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_1510613
loop_
_publ_author_name
'Vangelisti, R.'
'Mercier, R.'
'Omrani, H.'
_publ_section_title
;
 Etude radiocristallographique des solutions solides K Au Cl3.69 Br0.31, K
 Au Cl1.94 Br2.06, K Au Cl1.82 Br2.18 . 2(H2 O)
;
_journal_name_full               'Annales de Chimie (Paris)'
_journal_page_first              217
_journal_page_last               225
_journal_volume                  24
_journal_year                    1999
_chemical_formula_sum            'Au Br2.06 Cl1.94 K'
_chemical_name_systematic        'K Au Cl1.94 Br2.06'
_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                 96.147
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.789
_cell_length_b                   6.578
_cell_length_c                   12.562
_cell_volume                     722.084
_citation_journal_id_ASTM        ANCPAC
_cod_data_source_file            gold_94.cif
_cod_data_source_block           Au1Br2.06Cl1.94K1
_cod_original_cell_volume        722.0843
_cod_original_formula_sum        'Au1 Br2.06 Cl1.94 K1'
_cod_database_code               1510613
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
Cl1 Cl-1 0.8697 0.292 0.0485 0.51 0.0
Br4 Br-1 0.3405 0.2738 -0.0722 0.73 0.0
K1 K+1 0.218 0.451 0.18 1 0.0
Au1 Au+3 0 0 0 1 0.0
Cl4 Cl-1 0.3406 0.2741 -0.0723 0.27 0.0
Br3 Br-1 0.5061 0.148 0.1689 0.34 0.0
Cl3 Cl-1 0.5058 0.1481 0.169 0.66 0.0
Br2 Br-1 0.0965 -0.0537 0.1818 0.5 0.0
Au2 Au+3 0.5 0 0 1 0.0
Cl2 Cl-1 0.0968 -0.0541 0.1819 0.5 0.0
Br1 Br-1 0.8696 0.2923 0.048 0.49 0.0
