#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010147.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
_chemical_name_systematic          'Arsenic bromide'
_chemical_formula_structural       'As Br3'
_chemical_formula_sum              'As Br3'
_publ_section_title
;
Die Kristallstruktur von Arsen- und Antimontribromid
;
_publ_author_name                  'Braekken, H'
_journal_name_full
;
Kongelige Norske Videnskapers Selskab, Forhandlinger
;
_journal_coden_ASTM                KNSFA2
_journal_volume                    8
_journal_year                      1935
_journal_page_first                3
_journal_page_last                 3
_cell_length_a                     10.15
_cell_length_b                     12.07
_cell_length_c                     4.31
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       528.0
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 21 21 21'
_symmetry_Int_Tables_number        19
_symmetry_cell_setting             orthorhombic
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_type_symbol
_atom_type_oxidation_number
  As3+   3.000
  Br1-  -1.000
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