#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/01/1010147.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_1010147
loop_
_publ_author_name
'Braekken, H'
_publ_section_title
;
Die Kristallstruktur von Arsen- und Antimontribromid
;
_journal_coden_ASTM              KNSFA2
_journal_name_full
;
Kongelige Norske Videnskapers Selskab, Forhandlinger
;
_journal_page_first              3
_journal_page_last               3
_journal_volume                  8
_journal_year                    1935
_chemical_formula_structural     'As Br3'
_chemical_formula_sum            'As Br3'
_chemical_name_systematic        'Arsenic bromide'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.15
_cell_length_b                   12.07
_cell_length_c                   4.31
_cell_volume                     528.0
_cod_database_code               1010147
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,-y,1/2+z
1/2+x,1/2-y,-z
-x,1/2+y,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
As1 As3+ 4 a 0.3 0.215 0. 1. 0 d
Br1 Br1- 4 a -0.193 0.123 0.262 1. 0 d
Br2 Br1- 4 a 0.133 0.123 -0.262 1. 0 d
Br3 Br1- 4 a 0.482 0.123 -0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
As3+ 3.000
Br1- -1.000
