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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/9/00/81/9008141.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_9008141
loop_
_publ_author_name
'Boucher, M. L.'
'Peacor, D. R.'
_publ_section_title
;
 The crystal structure of alamosite, PbSiO3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              98
_journal_page_last               111
_journal_volume                  126
_journal_year                    1968
_chemical_compound_source        'Alamos, Sonora, Mexico'
_chemical_formula_sum            'O3 Pb Si'
_chemical_name_mineral           Alamosite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.25
_cell_angle_gamma                90
_cell_length_a                   11.23
_cell_length_b                   7.08
_cell_length_c                   12.26
_cell_volume                     895.613
_database_code_amcsd             0010657
_exptl_crystal_density_diffrn    6.303
_cod_original_formula_sum        'Pb Si O3'
_cod_database_code               9008141
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,1/2-z
1/2+x,-y,1/2+z
-x,-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 0.54470 0.06670 0.67390 0.00823
Pb2 0.40960 0.38570 0.84690 0.00671
Pb3 0.29890 0.30410 0.09990 0.00722
Si1 0.61800 0.12540 0.15390 0.00443
Si2 0.52920 0.40700 0.39140 0.00557
Si3 0.71220 0.18240 0.96160 0.00253
O1 0.50000 0.50000 0.50000 0.00975
O2 0.75000 0.22490 0.25000 0.00937
O3 0.64180 0.24580 0.45760 0.01887
O4 0.65810 0.05970 0.04190 0.00722
O5 0.50700 0.28750 0.10710 0.00431
O6 0.57580 0.94420 0.21320 0.01393
O7 0.40410 0.29350 0.30360 0.00925
O8 0.42090 0.42650 0.67100 0.00975
O9 0.62690 0.37280 0.91590 0.01545
O10 0.71390 0.04970 0.85380 0.00317
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010657