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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/1/53/72/1537244.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_1537244
loop_
_publ_author_name
'Ruck, M.'
'Poudeu Poudeu, P.F.'
'Soehnel, T.'
_publ_section_title
;
 Synthese, Kristallstruktur und elektronische Bandstruktur der isotypen
 Sulfidchloride Cu Bi S Cl2 und Ag Bi S Cl2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              63
_journal_page_last               67
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Bi Cl2 Cu S'
_chemical_name_systematic        'Cu Bi S Cl2'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.969
_cell_length_b                   12.786
_cell_length_c                   8.597
_cell_volume                     436.277
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Ruck_ZAACAB_2004_1131.cif
_cod_data_source_block           Bi1Cl2Cu1S1
_cod_original_cell_volume        436.2774
_cod_original_formula_sum        'Bi1 Cl2 Cu1 S1'
_cod_database_code               1537244
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-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
Bi1 Bi+3 0 0.2997 0.25 1 0.0
Cl1 Cl-1 0 0.35239 0.56175 1 0.0
Cu1 Cu+1 0.5 0.5 0.5 1 0.0
S1 S-2 0.5 0.43727 0.25 1 0.0
