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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/84/9008411.cif $
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#
# 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_9008411
loop_
_publ_author_name
'Chevrier, G.'
'Giester, G.'
'Heger, G.'
'Jarosch, D.'
'Wildner, M.'
'Zemann, J.'
_publ_section_title
;Neutron single-crystal refinement of cerussite, PbCO3, and comparison with
 other aragonite-type carbonates Locality: Pribram, Czech Republic
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              67
_journal_page_last               74
_journal_volume                  199
_journal_year                    1992
_chemical_formula_sum            'C O3 Pb'
_chemical_name_mineral           Cerussite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.179
_cell_length_b                   8.492
_cell_length_c                   6.141
_cell_volume                     270.082
_exptl_crystal_density_diffrn    6.572
_cod_original_formula_sum        'Pb C O3'
_cod_database_code               9008411
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
x,1/2-y,1/2+z
-x,1/2+y,1/2-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 0.01150 0.01010 0.01100 0.00000 0.00000 0.00010
C 0.00980 0.01070 0.00870 0.00000 0.00000 0.00000
O1 0.02060 0.01160 0.01830 0.00000 0.00000 0.00280
O2 0.01100 0.01810 0.02160 0.00320 0.00110 -0.00330
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb 0.25000 0.41702 0.24560
C 0.25000 0.76221 0.08718
O1 0.25000 0.91299 0.09649
O2 0.46445 0.68597 0.08893