#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/19/9011929.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_9011929
loop_
_publ_author_name
'Petrova, I. V.'
'Pobedimskaya, E. A.'
'Bryzgalov, I. A.'
_publ_section_title
;
 Crystal structure of micharaite Cu4FePbBiS6
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              123
_journal_page_last               127
_journal_volume                  299
_journal_year                    1988
_chemical_formula_sum            'Bi Cu4 Fe Pb S6'
_chemical_name_mineral           Miharaite
_space_group_IT_number           26
_symmetry_space_group_name_Hall  'P -2 -2b'
_symmetry_space_group_name_H-M   'P b 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.880
_cell_length_b                   12.003
_cell_length_c                   3.874
_cell_formula_units_Z            2
_cell_volume                     505.916
_database_code_amcsd             0012478
_exptl_crystal_density_diffrn    6.030
_cod_original_formula_sum        'Pb Cu4 Fe Bi S6'
_cod_database_code               9011929
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,z
x,y,-z
-x,1/2+y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb 0.31060 0.28000 0.50000 0.01824
Cu1 0.02030 0.27060 0.50000 0.01520
Cu2 0.48520 0.06970 0.00000 0.01773
Cu3 0.38210 0.84030 0.50000 0.02533
Cu4 0.21260 0.54290 0.50000 0.02533
Fe 0.28890 0.68250 0.00000 0.01267
Bi 0.14610 0.00000 0.00000 0.02077
S1 0.19300 0.74700 0.50000 0.01267
S2 0.02000 0.46100 0.50000 0.01140
S3 0.48100 0.76300 0.00000 0.01520
S4 0.31900 0.48700 0.00000 0.01393
S5 0.11400 0.20300 0.00000 0.01393
S6 0.36700 0.03000 0.50000 0.01520
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012478
