#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/36/8103666.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_8103666
loop_
_publ_author_name
'Ohmasa, M.'
'Nowacki, W.'
_publ_section_title
;
 The crystal structure of synthetic Cu Bi5 S8
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              422
_journal_page_last               432
_journal_volume                  137
_journal_year                    1973
_chemical_formula_sum            'Bi5 Cu S8'
_chemical_name_systematic        'Cu Bi5 S8'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.6
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.214
_cell_length_b                   4.025
_cell_length_c                   14.087
_cell_volume                     675.685
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Ohmasa_ZEKGAX_1973_1319.cif
_cod_data_source_block           Bi5Cu1S8
_cod_original_cell_volume        675.6855
_cod_original_formula_sum        'Bi5 Cu1 S8'
_cod_database_code               8103666
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
Bi3 Bi+3 0.3445 0 0.1483 1 0.0
Bi2 Bi+3 0.2107 0.5 0.359 1 0.0
S1 S-2 0.165 0.5 0.074 1 0.0
S4 S-2 0.353 0 0.342 1 0.0
S2 S-2 0.496 0.5 0.196 1 0.0
Bi1 Bi+3 0 0 0 1 0.0
S3 S-2 0.128 0 0.452 1 0.0
Cu1 Cu+1 0 0.319 0.5 0.5 0.0
