#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/70/9017038.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_9017038
loop_
_publ_author_name
'Plasil, J.'
'Palatinus, L.'
'Rohlicek, J.'
'Houdkovaq, L.'
'Klementova, M.'
'Golias, V.'
'Skacha, P.'
_publ_section_title
;
 Crystal structure of lead uranyl carbonate mineral widenmannite:
 Precession electron-diffraction and synchrotron powder-diffraction study
 Note: data collected at synchrotron
;
_journal_name_full               'American Mineralogist'
_journal_page_first              276
_journal_page_last               282
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'Brezove Hory deposit, Pribram ore district, Czech Republic'
_chemical_formula_sum            'C H O4.926 Pb0.926 U0.5'
_chemical_name_mineral           Widenmannite
_space_group_IT_number           59
_space_group_name_Hall           'P 2 2ab -1ab'
_space_group_name_H-M_alt        'P m m n :1'
_symmetry_space_group_name_H-M   'P m m n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9770
_cell_length_b                   9.3869
_cell_length_c                   8.9597
_cell_formula_units_Z            4
_cell_volume                     418.585
_database_code_amcsd             0020039
_exptl_crystal_density_diffrn    6.390
_cod_data_source_file            inputs/fixed/downloads/05/05669.cif
_cod_data_source_block           05669
_cod_original_sg_symbol_H-M      'P m m n'
_cod_original_formula_sum        'Pb.926 U.5 O4.926 C H'
_cod_database_code               9017038
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,z
1/2-x,1/2+y,-z
-x,y,z
1/2+x,1/2-y,-z
1/2+x,1/2+y,-z
-x,-y,z
1/2-x,1/2-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
Pb1 0.08700 0.03800 0.04400 0.00000 0.00000 -0.00800
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Pb1 0.50000 0.74140 0.17230 0.92600 0.05600
U1 0.50000 0.50000 0.57470 0.92600 0.01200
O1 1.00000 0.50000 0.56700 1.00000 0.00200
O2 0.77500 0.50000 0.35000 1.00000 0.00200
O3 0.50000 0.69200 0.57600 0.92600 0.00200
C1 1.00000 0.50000 0.42200 1.00000 0.00200
O4 0.27200 0.50000 0.81800 1.00000 0.00200
C2 0.50000 0.50000 0.89100 1.00000 0.00200
O5 0.50000 0.50000 0.03600 1.00000 0.00200
O6 0.50000 0.81600 -0.07800 1.00000 0.00200
U2 0.50000 0.00000 0.89300 0.07400 0.07000
H1 0.50000 0.89479 -0.11729 1.00000 0.00230
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020039
