#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/13/9011388.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_9011388
loop_
_publ_author_name
'Martinetto, P.'
'Anne, M.'
'Dooryhee, E.'
'Walter, P.'
'Tsoucaris, G.'
_publ_section_title
;
 Synthetic hydrocerussite, 2PbCO3*Pb(OH)2 by X-ray powder diffraction
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              i82
_journal_page_last               i84
_journal_paper_doi               10.1107/S0108270102006844
_journal_volume                  58
_journal_year                    2002
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C H O4 Pb1.5'
_chemical_name_mineral           Hydrocerussite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.2465
_cell_length_b                   5.2465
_cell_length_c                   23.702
_cell_formula_units_Z            6
_cell_volume                     565.008
_database_code_amcsd             0010324
_exptl_crystal_density_diffrn    6.839
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Pb1.5 C O4 H'
_cod_database_code               9011388
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
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 0.00000 0.00000 0.21510 1.00000 0.01720
Pb2 0.91580 -0.91580 0.00160 0.16667 0.02150
C 0.00000 0.00000 0.43040 1.00000 0.02800
O1 0.85680 -0.85680 0.43180 1.00000 0.02800
O-H2 -0.29300 0.29300 0.02000 0.33333 0.01000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010324
