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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/04/1510484.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_1510484
loop_
_publ_author_name
'Fornasini, M.L.'
'Merlo, F.'
_publ_section_title
;
 Ca7 Au3 and Ca5 Au4, two structures closely related to the Th7 Fe3 and
 Pu5 Rh4 types
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              65
_journal_page_last               70
_journal_paper_doi               10.1016/0022-4596(85)90351-2
_journal_volume                  59
_journal_year                    1985
_chemical_formula_sum            'Au3 Ca7'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.742
_cell_length_b                   18.036
_cell_length_c                   6.665
_cell_volume                     2493.395
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            gold_581.cif
_cod_data_source_block           Au3Ca7
_cod_database_code               1510484
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,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
Ca2 Ca 0.0301 0.1873 0.948 1 0.0
Ca7 Ca 0.3727 0.0825 0.755 1 0.0
Au3 Au 0.481 0.1547 0.9722 1 0.0
Ca3 Ca 0.1246 0.1257 0.458 1 0.0
Ca5 Ca 0.2832 0.0219 0.266 1 0.0
Ca4 Ca 0.3733 0.2092 0.248 1 0.0
Ca1 Ca 0.2174 0.1839 0.96 1 0.0
Au1 Au 0.1195 0.0602 0.0306 1 0.0
Ca6 Ca 0.4724 0.021 0.251 1 0.0
Au2 Au 0.268 0.1596 0.5292 1 0.0
