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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/84/1538453.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_1538453
loop_
_publ_author_name
'Otto, H.H.'
'Strunz, H.'
_publ_section_title
;
 Zur Kristallchemie synthetischer Blei-Wismut-Spiessglanze
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)
;
_journal_page_first              1
_journal_page_last               19
_journal_volume                  108
_journal_year                    1968
_chemical_formula_sum            'Bi0.123 Pb0.816 S'
_chemical_name_systematic        'Pb.816 Bi.123 S'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.912
_cell_length_b                   5.912
_cell_length_c                   5.912
_cell_volume                     206.635
_citation_journal_id_ASTM        NJMIAK
_cod_data_source_file            Otto_NJMIAK_1968_53.cif
_cod_data_source_block           Bi0.123Pb0.816S1
_cod_original_cell_volume        206.6347
_cod_original_formula_sum        'Bi0.123 Pb0.816 S1'
_cod_database_code               1538453
loop_
_symmetry_equiv_pos_as_xyz
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-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
z,x,y
-x,z,y
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x,-z,y
z,-x,-y
x,z,-y
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y,z,x
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z,y,-x
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z+1/2,y+1/2,x
y+1/2,z+1/2,-x
-z+1/2,y+1/2,-x
z+1/2,-y+1/2,-x
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
S1 S-2 0.5 0.5 0.5 1 0.0
Bi1 Bi+3 0 0 0 0.123 0.0
Pb1 Pb+2 0 0 0 0.816 0.0
