#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/09/9010983.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_9010983
loop_
_publ_author_name
'Cowley, J. M.'
_publ_section_title
;
 Electron-diffraction study of the structure of basic lead carbonate,
 2PbCO3*Pb(OH)2
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              391
_journal_page_last               396
_journal_paper_doi               10.1107/S0365110X56001133
_journal_volume                  9
_journal_year                    1956
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 H2 O8 Pb3'
_chemical_name_mineral           Hydrocerussite
_space_group_IT_number           157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.06
_cell_length_b                   9.06
_cell_length_c                   8.27
_cell_volume                     587.885
_database_code_amcsd             0009160
_exptl_crystal_density_diffrn    6.573
_cod_original_formula_sum        'Pb3 C2 O8 H2'
_cod_database_code               9010983
loop_
_space_group_symop_operation_xyz
x,y,z
x-y,-y,z
-y,x-y,z
y,x,z
-x+y,-x,z
-x,-x+y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
_atom_site_attached_hydrogens
Pb1 0.00000 0.00000 0.77000 Pb 0
Pb2 0.33333 0.66667 0.77000 Pb 0
Pb3 0.25500 0.00000 0.50000 Pb 0
Pb4 0.66000 0.00000 0.23000 Pb 0
C1 0.00000 0.00000 0.14000 C 0
C2 0.33333 0.66667 0.14000 C 0
C3 0.66000 0.00000 0.86000 C 0
O1 0.16000 0.00000 0.14000 O 0
O2 0.53000 0.16000 0.14000 O 0
O3 0.51000 0.00000 0.86000 O 0
O4 0.34000 0.18000 0.86000 O 0
O-H1 0.00000 0.00000 0.42000 O 1
O-H2 0.33333 0.66667 0.42000 O 1
O-H3 0.70000 0.00000 0.58000 O 1
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:52:49+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009160