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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/18/9011802.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_9011802
loop_
_publ_author_name
'Pasero, M.'
'Perchiazzi, N.'
_publ_section_title
;
 Crystal structure refinement of matlockite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              833
_journal_page_last               836
_journal_paper_doi               10.1180/minmag.1996.060.402.15
_journal_volume                  60
_journal_year                    1996
_chemical_compound_source        'Baratti beach, Tuscany, Italy'
_chemical_formula_sum            'Cl F Pb'
_chemical_name_mineral           Matlockite
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.110
_cell_length_b                   4.110
_cell_length_c                   7.246
_cell_volume                     122.400
_database_code_amcsd             0014521
_exptl_crystal_density_diffrn    7.099
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Pb F Cl'
_cod_database_code               9011802
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-y,1/2-x,z
1/2+y,1/2+x,-z
1/2+y,-x,-z
1/2-y,x,z
x,1/2-y,z
-x,1/2+y,-z
1/2+x,1/2+y,-z
1/2-x,1/2-y,z
y,x,z
-y,-x,-z
-y,1/2+x,-z
y,1/2-x,z
1/2-x,y,z
1/2+x,-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 0.00700 0.00700 0.00700 0.00000 0.00000 0.00000
F 0.00500 0.00500 0.00500 0.00000 0.00000 0.00000
Cl 0.01200 0.01200 0.00800 0.00000 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb 0.25000 0.25000 0.20580
F 0.25000 0.75000 0.00000
Cl 0.25000 0.25000 0.64970