#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/77/9017739.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_9017739
loop_
_publ_author_name
'Sejkora, J.'
'Skacha, P.'
'Plasil, J.'
'Dolnicek, Z.'
'Ulmanova, J.'
_publ_section_title
;
 Hrabakite, Ni9PbSbS8, a new member of the hauchecornite group from Pribram,
 Czech Republic
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              189
_journal_page_last               196
_journal_volume                  85
_journal_year                    2021
_chemical_compound_source        'Pribram, Czech Republic'
_chemical_formula_sum            'Co0.08 Fe0.08 Ni8.84 Pb0.961 S8 Sb1.039'
_chemical_name_mineral           Hrabakite
_space_group_IT_number           123
_space_group_name_Hall           '-P 4 2'
_space_group_name_H-M_alt        'P 4/m m m'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.3085
_cell_length_b                   7.3085
_cell_length_c                   5.3969
_cell_formula_units_Z            1
_cell_volume                     288.271
_database_code_amcsd             0020959
_exptl_crystal_density_diffrn    6.395
_cod_data_source_file            inputs/fixed/downloads/18/18646.cif
_cod_data_source_block           18646
_cod_original_formula_sum        '(Sb1.039 Pb.961) Ni8.84 Co.08 Fe.08 S8'
_cod_database_code               9017739
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
y,x,-z
y,-x,-z
-y,x,z
x,-y,z
-x,y,-z
x,y,-z
-x,-y,z
y,x,z
-y,-x,-z
-y,x,-z
y,-x,z
-x,y,z
x,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Sb1 0.00000 0.00000 0.00000 0.30200 0.01040
Pb1 0.00000 0.00000 0.00000 0.69800 0.01040
Sb2 0.50000 0.50000 0.50000 0.73700 0.01010
Pb2 0.50000 0.50000 0.50000 0.26300 0.01010
Ni3 0.00000 0.00000 0.50000 0.92000 0.00800
Co3 0.00000 0.00000 0.50000 0.08000 0.00800
Ni4 0.50000 0.81894 0.25308 0.99000 0.01210
Fe4 0.50000 0.81894 0.25308 0.01000 0.01210
S1 0.68790 0.00000 0.50000 1.00000 0.00740
S2 0.27080 0.72920 0.00000 1.00000 0.00980
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020959
