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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/55/9005510.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_9005510
loop_
_publ_author_name
'Krivovichev, S. V.'
'Burns, P. C.'
_publ_section_title
;
 Crystal chemistry of lead oxide chlorides. I. Crystal structures of
 synthetic mendipite, Pb3O2Cl2, and synthetic damaraite, Pb3O2(OH)Cl
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              801
_journal_page_last               809
_journal_paper_doi               10.1127/0935-1221/2001/0013-0801
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'Cl2 O2 Pb3'
_chemical_name_mineral           Mendipite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.879
_cell_length_b                   5.808
_cell_length_c                   9.505
_cell_formula_units_Z            4
_cell_volume                     655.781
_database_code_amcsd             0006898
_exptl_crystal_density_diffrn    7.338
_cod_original_formula_sum        'Pb3 O2 Cl2'
_cod_database_code               9005510
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+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
Pb1 0.01700 0.01500 0.01800 0.00000 -0.00200 0.00000
Pb2 0.01500 0.01800 0.02700 0.00000 -0.00300 0.00000
Pb3 0.02300 0.01800 0.01600 0.00000 0.00100 0.00000
Cl1 0.02900 0.03300 0.02100 0.00000 0.00600 0.00000
Cl2 0.02000 0.02900 0.02700 0.00000 -0.00800 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb1 0.08180 0.25000 0.08190 0.01700
Pb2 0.28180 0.25000 0.36790 0.02000
Pb3 0.55990 0.25000 0.79580 0.01900
O 0.41850 0.99500 0.38800 0.01600
Cl1 0.36490 0.25000 0.08080 0.02800
Cl2 0.81070 0.25000 0.80550 0.02500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006898
