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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/14/9011421.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_9011421
loop_
_publ_author_name
'Sahl, K.'
_publ_section_title
;
 Zur kristallstruktur von lanarkit, Pb2O(SO4)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              99
_journal_page_last               117
_journal_volume                  132
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O5 Pb2 S'
_chemical_name_mineral           Lanarkite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.93
_cell_angle_gamma                90
_cell_length_a                   13.769
_cell_length_b                   5.698
_cell_length_c                   7.079
_cell_volume                     499.477
_database_code_amcsd             0010717
_exptl_crystal_density_diffrn    7.001
_cod_original_formula_sum        'Pb2 S O5'
_cod_database_code               9011421
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-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
Pb1 0.14660 0.00000 0.10500 0.01646
Pb2 0.02580 0.50000 0.27150 0.01545
S 0.32900 0.50000 0.34400 0.01520
O1 0.11100 0.00000 0.42900 0.02660
O2 0.35500 0.71100 0.25100 0.02533
O3 0.21300 0.50000 0.28400 0.02533
O4 0.00000 0.24600 0.00000 0.02153