#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/95/9009573.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_9009573
loop_
_publ_author_name
'Giuseppetti, G.'
'Tadini, C.'
_publ_section_title
;Reexamination of the crystal structure of phosgenite, Pb2Cl2(CO3) Locality:
 Monteponi Mine, Iglesias, Iglesiente district, Cagliari Province, Sardinia,
 Italy
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              101
_journal_page_last               109
_journal_volume                  21
_journal_year                    1974
_chemical_compound_source
'Monteponi Mine, Iglesias, Iglesiente district, Cagliari Province, Sardinia, Italy'
_chemical_formula_sum            'C Cl2 O3 Pb2'
_chemical_name_mineral           Phosgenite
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.160
_cell_length_b                   8.160
_cell_length_c                   8.883
_cell_formula_units_Z            4
_cell_volume                     591.480
_database_code_amcsd             0015646
_exptl_crystal_density_diffrn    6.124
_cod_original_formula_sum        'Pb2 Cl2 C O3'
_cod_database_code               9009573
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-y,1/2-x,z
1/2+y,1/2+x,-z
y,-x,-z
-y,x,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
x,y,-z
-x,-y,z
1/2+y,1/2+x,z
1/2-y,1/2-x,-z
-y,x,-z
y,-x,z
1/2-x,1/2+y,z
1/2+x,1/2-y,-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 0.01822 0.01822 0.01119 -0.00371 0.00147 0.00147
Cl1 0.01214 0.01214 0.03878 0.00000 0.00000 0.00000
Cl2 0.02260 0.02260 0.01119 -0.00337 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb 0.16590 0.66590 0.25940 0.01583
Cl1 0.00000 0.00000 0.24280 0.02090
Cl2 0.35210 0.85210 0.50000 0.01887
C 0.32570 0.82570 0.00000 0.01355
O1 0.21100 0.71100 0.00000 0.01545
O2 0.37260 0.87260 0.12690 0.01254
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015646
