#------------------------------------------------------------------------------
#$Date: 2015-07-11 01:48:31 +0200 (Sat, 11 Jul 2015) $
#$Revision: 143808 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/31/1523195.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1523195
loop_
_publ_author_name
'Aurivillius, B.'
_publ_section_title
;
 X-ray studies on (Pb F2)6 Pb X2 (X= Cl, Br) and Pb F I
;
_journal_name_full               'Chemica Scripta'
_journal_page_first              206
_journal_page_last               209
_journal_volume                  10
_journal_year                    1976
_chemical_formula_sum            'Cl2 F12 Pb7'
_chemical_name_systematic        'Pb7 Cl2 F12'
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   10.2743
_cell_length_b                   10.2743
_cell_length_c                   3.9875
_cell_volume                     364.532
_citation_journal_id_ASTM        CSRPB9
_cod_data_source_file            Aurivillius_CSRPB9_1976_401.cif
_cod_data_source_block           Cl2F12Pb7
_cod_original_cell_volume        364.5321
_cod_database_code               1523195
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Pb3 Pb+2 0.11403 0.40071 0 1 0.0
F2 F-1 0.165 0.2766 0.5 1 0.0
Cl2 Cl-1 0.3333 0.6667 0.5 1 0.0
Pb1 Pb+2 0 0 0.5 1 0.0
F1 F-1 0.3894 0.427 0 1 0.0
Cl1 Cl-1 0.6667 0.3333 0 1 0.0
Pb2 Pb+2 0.89312 0.58414 0.5 1 0.0
F4 F-1 0.21 0.0803 0 1 0.0
F3 F-1 0.4284 0.046 0.5 1 0.0
