#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/11/9001143.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_9001143
loop_
_publ_author_name
'Rouse, R. C.'
'Peacor, D. R.'
'Dunn, P. J.'
'Criddle, A. J.'
'Stanley, C. J.'
'Innes, J.'
_publ_section_title
;
 Asisite, a silicon-bearing lead oxychloride from the Kombat mine, South West
 Africa (Namibia)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              643
_journal_page_last               650
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Cl O4 Pb3.5'
_chemical_name_mineral           Asisite
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.897
_cell_length_b                   3.897
_cell_length_c                   22.81
_cell_formula_units_Z            2
_cell_volume                     346.407
_database_code_amcsd             0001166
_exptl_crystal_density_diffrn    7.906
_cod_original_formula_sum        'Pb3.5 Cl O4'
_cod_database_code               9001143
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,-x,z
1/2-y,1/2-x,1/2+z
y,x,-z
1/2+y,1/2+x,1/2-z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
y,x,z
1/2+y,1/2+x,1/2+z
-y,-x,-z
1/2-y,1/2-x,1/2-z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-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 0.02000 0.02000 0.00700 0.00000 0.00000 0.00000
Pb2 0.02000 0.02000 0.01000 0.00000 0.00000 0.00000
Cl 0.06000 0.06000 0.03000 0.00000 0.00000 0.00000
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 0.08380 1.00000 ?
Pb2 0.00000 0.00000 0.30470 0.75000 ?
Cl 0.00000 0.00000 0.50000 1.00000 ?
O 0.00000 0.50000 0.14400 1.00000 0.07400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001166
