#------------------------------------------------------------------------------
#$Date: 2015-10-11 16:52:07 +0200 (dom 11 de oct de 2015) $
#$Revision: 165779 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/28/7222854.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_7222854
loop_
_publ_author_name
'Krebs, B.'
_publ_section_title
;
 Strukturchemie von Chalkogenid-halogeniden: Die Kristallstrukturen von
 Pb4 Se Br6 und Pb5 S2 J6
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (2,1947-32,1977)
;
_journal_page_first              223
_journal_page_last               224
_journal_volume                  25
_journal_year                    1970
_chemical_formula_sum            'I6 Pb5 S2'
_chemical_name_systematic        'Pb5 S2 I6'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.04
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.338
_cell_length_b                   4.437
_cell_length_c                   14.552
_cell_volume                     916.665
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            Krebs_ZENBAX_1970_657.cif
_cod_data_source_block           I6Pb5S2
_cod_original_cell_volume        916.6652
_cod_database_code               7222854
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
Pb1 Pb+2 0 0 0 1 0.0
I1 I-1 0.3637 0 0.064 1 0.0
I2 I-1 0.1185 0 0.2043 1 0.0
Pb3 Pb+2 0.1266 0 0.4633 1 0.0
Pb2 Pb+2 0.2164 0 0.7606 1 0.0
S1 S-2 0.2803 0 0.5943 1 0.0
I3 I-1 0.4266 0 0.3565 1 0.0
