#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/39/8103971.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_8103971
loop_
_publ_author_name
'Boeschen, S.'
'Keller, H.L.'
_publ_section_title
;
 Darstellung und Kristallstruktur der homologen Reihe PbMo6X14, X = Cl,
 Br, I
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              305
_journal_page_last               315
_journal_volume                  200
_journal_year                    1992
_chemical_formula_sum            'I14 Mo6 Pb'
_chemical_name_systematic        'Pb ((Mo6 I8) I6)'
_space_group_IT_number           201
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.429
_cell_length_b                   14.429
_cell_length_c                   14.429
_cell_volume                     3004.061
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Boeschen_ZEKRDZ_1992_48.cif
_cod_data_source_block           I14Mo6Pb1
_cod_original_formula_sum        'I14 Mo6 Pb1'
_cod_database_code               8103971
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x,-y+1/2,-z+1/2
-x+1/2,y,-z+1/2
z,x,y
-z+1/2,-x+1/2,y
z,-x+1/2,-y+1/2
-z+1/2,x,-y+1/2
y,z,x
y,-z+1/2,-x+1/2
-y+1/2,z,-x+1/2
-y+1/2,-z+1/2,x
-x,-y,-z
x-1/2,y-1/2,-z
-x,y-1/2,z-1/2
x-1/2,-y,z-1/2
-z,-x,-y
z-1/2,x-1/2,-y
-z,x-1/2,y-1/2
z-1/2,-x,y-1/2
-y,-z,-x
-y,z-1/2,x-1/2
y-1/2,-z,x-1/2
y-1/2,z-1/2,-x
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
Pb1 Pb+2 0.5 0.5 0.5 1 0.0
I2 I-1 0.3782 0.6891 0.9341 1 0.0
Mo1 Mo+2 0.8761 0.0262 0.9667 1 0.0
I1 I-1 0.1365 0.1365 0.1365 1 0.0
I3 I-1 0.5876 0.8089 0.0716 1 0.0
