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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9008411.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
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'
_[local]_cod_chemical_formula_sum_orig 'Pb C O3'
_chemical_name_mineral           Cerussite
_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
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_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
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
_cod_database_code 9008411