#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/51/1535165.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_1535165
loop_
_publ_author_name
'Haupt, S.'
'Seppelt, K.'
_publ_section_title
;
 Solid state structures of As Cl5 and Sb Cl5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              729
_journal_page_last               734
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Cl5 Sb'
_chemical_name_systematic        'Sb Cl5'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.275
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.5236
_cell_length_b                   11.8688
_cell_length_c                   12.1967
_cell_volume                     1309.103
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Haupt_ZAACAB_2002_380.cif
_cod_data_source_block           Cl5Sb1
_cod_original_formula_sum        'Cl5 Sb1'
_cod_database_code               1535165
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
Cl4 Cl-1 0.21147 0.99079 0.0613 1 0.0
Cl6 Cl-1 0.59141 0.98547 0.16265 1 0.0
Sb1 Sb+5 0.37577 0.871341 0.185966 1 0.0
Cl9 Cl-1 0.97204 0.99821 0.25214 1 0.0
Sb2 Sb+5 0.816538 0.871743 0.298309 1 0.0
Cl3 Cl-1 0.21559 0.74774 0.22973 1 0.0
Cl10 Cl-1 0.98253 0.75263 0.42143 1 0.0
Cl5 Cl-1 0.59728 0.75727 0.32091 1 0.0
Cl7 Cl-1 0.78692 0.98234 0.44492 1 0.0
Cl2 Cl-1 0.40252 0.75831 0.03962 1 0.0
Cl1 Cl-1 0.39556 0.9819 0.34616 1 0.0
Cl8 Cl-1 0.79445 0.76065 0.13862 1 0.0
