#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010151.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_1010151
_chemical_name_systematic          'Chromium bromide'
_chemical_formula_structural       'Cr Br3'
_chemical_formula_sum              'Br3 Cr'
_publ_section_title                'Die Kristallstruktur von Chromtribromid'
loop_
_publ_author_name                  'Braekken, H'
_journal_name_full
;
Kongelige Norske Videnskapers Selskab, Forhandlinger
;
_journal_coden_ASTM                KNSFA2
_journal_volume                    5
_journal_year                      1932
_journal_page_first                42
_journal_page_last                 42
_cell_length_a                     6.26
_cell_length_b                     6.26
_cell_length_c                     18.2
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       617.7
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'P 3'
_symmetry_Int_Tables_number        143
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cr3+   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
  Cr1   Cr3+   1 a 0. 0. 0. 1.  0 d
  Cr2   Cr3+   1 a 0. 0. 0.6667 1.  0 d
  Cr3   Cr3+   1 b 0.3333 0.6667 0.3333 1.  0 d
  Cr4   Cr3+   1 b 0.3333 0.6667 0. 1.  0 d
  Cr5   Cr3+   1 c 0.6667 0.3333 0.6667 1.  0 d
  Cr6   Cr3+   1 c 0.6667 0.3333 0.3333 1.  0 d
  Br1   Br1-   3 d 0.3333 0.3333 -0.078 1.  0 d
  Br2   Br1-   3 d 0.6667 0.6667 0.078 1.  0 d
  Br3   Br1-   3 d 0.3333 0.3333 0.255 1.  0 d
  Br4   Br1-   3 d 0.6667 0.6667 0.411 1.  0 d
  Br5   Br1-   3 d 0.3333 0.3333 0.589 1.  0 d
  Br6   Br1-   3 d 0.6667 0.6667 0.745 1.  0 d