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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/94/9009423.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_9009423
loop_
_publ_author_name
'Pasero, M.'
'Rotiroti, N.'
_publ_section_title
;
 The crystal structure of molybdomenite, PbSeO3
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              145
_journal_page_last               152
_journal_volume                  2003
_journal_year                    2003
_chemical_compound_source        'El Dragon mine, Potosi, Bolivia'
_chemical_formula_sum            'O3 Pb Se'
_chemical_name_mineral           Molybdomenite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.547
_cell_angle_gamma                90
_cell_length_a                   4.5437
_cell_length_b                   5.5137
_cell_length_c                   6.634
_cell_formula_units_Z            2
_cell_volume                     159.316
_database_code_amcsd             0014923
_exptl_crystal_density_diffrn    6.966
_cod_original_formula_sum        'Pb Se O3'
_cod_database_code               9009423
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pb 0.02830 0.02840 0.02570 0.00000 0.01090 0.00000
Se 0.02200 0.02100 0.02100 0.00000 0.00740 0.00000
O1 0.02500 0.05600 0.04900 0.00000 0.01500 0.00000
O2 0.03300 0.01400 0.03000 -0.00200 0.00700 0.00200
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb 0.63860 0.25000 0.30110
Se 0.08470 0.75000 0.16340
O1 0.70400 0.75000 0.12400
O2 0.19900 0.51200 0.33800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014923
