#------------------------------------------------------------------------------
#$Date: 2023-05-10 19:44:19 +0200 (Wed 10 de May de 2023) $
#$Revision: 283658 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/74/9017418.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_9017418
loop_
_publ_author_name
'Belokoneva, E. L.'
'Al'-Ama A G'
'Dimitrova, O. V.'
'Kurazhkovskaya, V. S.'
'Stefanovich, S. Y.'
_publ_section_title
;
 Synthesis and crystal structure of new carbonate NaPb2(CO3)2(OH)
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              217
_journal_page_last               222
_journal_volume                  47
_journal_year                    2002
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 H Na O7 Pb2'
_chemical_name_mineral           Abellaite
_space_group_IT_number           159
_space_group_name_Hall           'P 3 -2c'
_space_group_name_H-M_alt        'P 3 1 c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.268
_cell_length_b                   5.268
_cell_length_c                   13.48
_cell_volume                     323.975
_database_code_amcsd             0020513
_exptl_crystal_density_diffrn    5.888
_cod_data_source_file            inputs/fixed/downloads/14/14835.cif
_cod_data_source_block           14835
_cod_original_formula_sum        'Na Pb2 C2 (O7 H)'
_cod_database_code               9017418
loop_
_space_group_symop_operation_xyz
x,y,z
x-y,-y,1/2+z
-y,x-y,z
y,x,1/2+z
-x+y,-x,z
-x,-x+y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
_atom_site_attached_hydrogens
Na1 0.66667 0.33333 0.89270 0.02014 Na 0
Pb1 0.66667 0.33333 0.55700 0.01077 Pb 0
Pb2 0.66667 0.33333 0.22580 0.01140 Pb 0
C1 0.00000 0.00000 0.03500 0.00557 C 0
C2 0.00000 0.00000 0.27600 0.00405 C 0
O-H1 0.66667 0.33333 0.38800 0.01862 O 1
O2 0.15100 0.28800 0.53600 0.01520 O 0
O3 0.27600 0.14100 0.75500 0.01051 O 0
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
;
2023-05-10T18:58:11+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 0020513
