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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/92/9009250.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_9009250
loop_
_publ_author_name
'Makovicky, E.'
_publ_section_title
;
 Chemistry and crystallography of the lillianite homologous series
 Part III. Crystal chemistry of lillianite homologues.  Related phases
;
_journal_name_full
'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              187
_journal_page_last               207
_journal_volume                  131
_journal_year                    1977
_chemical_compound_source        'Rhodope Mountains, Bulgaria'
_chemical_formula_sum            'Bi2 Pb3 S6'
_chemical_name_mineral           Lillianite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.58
_cell_length_b                   20.51
_cell_length_c                   4.09
_cell_volume                     1139.171
_database_code_amcsd             0014706
_exptl_crystal_density_diffrn    7.183
_cod_original_formula_sum        'Pb3 Bi2 S6'
_cod_database_code               9009250
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,y,1/2+z
-x,1/2+y,z
1/2-x,1/2+y,1/2+z
x,1/2-y,-z
1/2+x,1/2-y,1/2-z
x,y,-z
1/2+x,y,1/2-z
-x,-y,z
1/2-x,-y,1/2+z
x,1/2-y,z
1/2+x,1/2-y,1/2+z
-x,1/2+y,-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
PbMe1 0.41800 0.14280 0.50000 0.03293
BiMe2 0.13780 0.04410 0.50000 0.02153
PbMe3 0.16320 0.25000 0.00000 0.02660
S1 0.27500 0.08700 0.00000 0.02280
S2 0.00000 0.00000 0.00000 0.02660
S3 0.31000 0.25000 0.50000 0.02406
S4 0.04300 0.17300 0.50000 0.02153
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014706