#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/51/1535161.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_1535161
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            'As2 Cl9 H5 O3'
_chemical_name_systematic        '((H5 O2) (As Cl6)) (As O Cl3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.208
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.716
_cell_length_b                   9.045
_cell_length_c                   21.407
_cell_volume                     1470.372
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Haupt_ZAACAB_2002_377.cif
_cod_data_source_block           H5As2Cl9O3
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H5 As2 Cl9 O3'
_cod_database_code               1535161
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
Cl9 Cl-1 0.07187 0.04759 0.31566 1 0.0
O1 O-2 0.3667 -0.0615 0.42311 1 0.0
Cl2 Cl-1 0.7542 0.12698 0.41814 1 0.0
Cl6 Cl-1 0.66912 0.59483 0.34453 1 0.0
Cl5 Cl-1 0.69961 0.43753 0.47853 1 0.0
Cl1 Cl-1 0.72 0.27869 0.28251 1 0.0
O2 O-2 0.8513 0.3343 0.00048 1 0.0
O3 O-2 0.5753 0.2784 0.0416 1 0.0
As1 As+5 0.70703 0.3595 0.38001 1 0.0
Cl3 Cl-1 1.00154 0.39621 0.3971 1 0.0
As2 As+5 0.28082 -0.09347 0.34905 1 0.0
Cl4 Cl-1 0.41595 0.32482 0.36151 1 0.0
Cl7 Cl-1 0.46033 -0.07386 0.28698 1 0.0
Cl8 Cl-1 0.18285 -0.30904 0.33722 1 0.0
