#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/51/1535158.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_1535158
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            'As Cl5'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.0625
_cell_length_b                   7.6029
_cell_length_c                   6.2327
_cell_volume                     334.668
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Haupt_ZAACAB_2002_376.cif
_cod_data_source_block           As1Cl5
_cod_original_cell_volume        334.6678
_cod_original_formula_sum        'As1 Cl5'
_cod_database_code               1535158
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x+1/2,-y,-z
-x,y+1/2,-z
-x,-y,-z
x-1/2,y-1/2,-z
-x-1/2,y,z
x,-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
As1 As+5 0.75 0.25 0.17415 1 0.0
Cl3 Cl-1 0.75 -0.04023 0.17354 1 0.0
Cl1 Cl-1 0.49257 0.25 0.3487 1 0.0
Cl2 Cl-1 0.75 0.25 -0.16377 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 13643880
