#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/82/9008248.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9008248
loop_
_publ_author_name
'Takeuchi, Y.'
'Ozawa, T.'
_publ_section_title
;
 The structure of Cu4Bi4S9 and its relation to the structures of covellite,
 CuS and bismuthinite, Bi2S3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              217
_journal_page_last               232
_journal_volume                  141
_journal_year                    1975
_chemical_formula_structural     Cu4Bi4S9
_chemical_formula_sum            'Bi4 Cu4 S9'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.589
_cell_length_b                   32.05
_cell_length_c                   3.951
_cell_formula_units_Z            4
_cell_volume                     1467.510
_database_code_amcsd             0010774
_exptl_crystal_density_diffrn    6.240
_cod_original_formula_sum        'Cu4 Bi4 S9'
_cod_database_code               9008248
_amcsd_formula_title             Cu4Bi4S9
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu1 0.38320 0.13590 0.75000 0.04053
Cu2 0.33630 0.19110 0.25000 0.04686
Cu3 0.42470 0.30420 0.25000 0.04053
Cu4 0.39360 0.48270 0.25000 0.09119
Bi1 0.36697 0.02775 0.75000 0.02786
Bi2 0.09953 0.09028 0.25000 0.02913
Bi3 0.13895 0.27871 0.25000 0.02660
Bi4 0.23286 0.39072 0.75000 0.02660
S1 0.13270 0.02050 0.75000 0.02280
S2 0.32540 0.09870 0.25000 0.01520
S3 0.09260 0.15430 0.75000 0.02153
S4 0.24240 0.19090 0.75000 0.01646
S5 0.48510 0.23510 0.25000 0.01646
S6 0.31580 0.31430 0.75000 0.01773
S7 0.07470 0.35640 0.25000 0.02280
S8 0.38820 0.41250 0.25000 0.01646
S9 0.11950 0.47080 0.25000 0.01900
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010774
