#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/84/1538497.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_1538497
loop_
_publ_author_name
'Preiss, H.'
_publ_section_title
;
 Darstellung und Kristallstruktur der Verbindung As Cl5 Sb Cl5 As Cl3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              71
_journal_page_last               75
_journal_volume                  380
_journal_year                    1971
_chemical_formula_sum            'As2 Cl13 Sb'
_chemical_name_systematic        'As Cl5 Sb Cl5 As Cl3'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.02
_cell_length_b                   16.2
_cell_length_c                   11.67
_cell_volume                     1894.321
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Preiss_ZAACAB_1971_1082.cif
_cod_data_source_block           As2Cl13Sb1
_cod_original_formula_sum        'As2 Cl13 Sb1'
_cod_database_code               1538497
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z+1/2
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
Cl3 Cl-1 0.166 0.1485 0.886 1 0.0
Cl1 Cl-1 0 0.3306 0.8922 1 0.0
Cl7 Cl-1 0.5 0.3653 0.1357 1 0.0
Cl9 Cl-1 0.334 0.0346 0.1306 1 0.0
As2 As+3 0.5 0.36 0.9584 1 0.0
Cl4 Cl-1 0.1668 0.2647 0.119 1 0.0
Cl6 Cl-1 0.5 0.2382 0.905 1 0.0
Cl8 Cl-1 0.5 0.0443 0.827 1 0.0
Cl2 Cl-1 0 0.0873 0.117 1 0.0
Cl5 Cl-1 0.334 0.4176 0.8976 1 0.0
Sb1 Sb+5 0 0.208 0 1 0.0
As1 As+5 0 0.4589 0.1495 1 0.0
