#------------------------------------------------------------------------------
#$Date: 2023-03-27 09:00:38 +0200 (Mon 27 de Mar de 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/70/9017039.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_9017039
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 by electron diffraction
;
_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 O4.824 Pb0.824 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_volume                     418.585
_database_code_amcsd             0020040
_exptl_crystal_density_diffrn    6.029
_cod_data_source_file            inputs/fixed/downloads/05/05670.cif
_cod_data_source_block           05670
_cod_original_sg_symbol_H-M      'P m m n'
_cod_original_formula_sum        'Pb.824 U.5 C O4.824 H'
_cod_database_code               9017039
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 0.17800 0.16900 0.07300 0.00000 0.00000 0.00000
U1 0.01220 0.11300 0.01420 0.00000 0.00000 0.00000
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 0.73430 0.17580 0.82400 0.14000
U1 0.50000 0.50000 0.57860 0.82400 0.04600
U2 0.50000 0.00000 0.92300 0.17600 0.08000
C1 1.00000 0.50000 0.41610 1.00000 0.09400
C2 0.50000 0.50000 0.89570 1.00000 0.03800
O1 1.00000 0.50000 0.56100 1.00000 0.06800
O2 0.77500 0.50000 0.34410 1.00000 0.05800
O3 0.50000 0.68300 0.58500 0.82400 0.03300
O4 0.27800 0.50000 0.82440 1.00000 0.07400
O5 0.50000 0.50000 0.03800 1.00000 0.05900
O6 0.50000 0.80600 -0.06600 1.00000 0.09300
H1 0.50000 0.88729 -0.09912 1.00000 0.11160
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020040
