#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010575.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_1010575
_chemical_name_systematic          'Chromium chloride'
_chemical_formula_structural       'Cr Cl3'
_chemical_formula_sum              'Cl3 Cr'
_publ_section_title
;
The Structure of Chromium Trichloride Cr Cl~3~
;
loop_
_publ_author_name                  'Wooster, N'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    74
_journal_year                      1930
_journal_page_first                363
_journal_page_last                 374
_cell_length_a                     6.017(1)
_cell_length_b                     6.017(1)
_cell_length_c                     17.3(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       542.4
_cell_formula_units_Z              6
_exptl_crystal_density_meas        2.87
_symmetry_space_group_name_H-M     'P 32 1 2'
_symmetry_Int_Tables_number        153
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,2/3+z'
  'y-x,-x,1/3+z'
  '-y,-x,1/3-z'
  'y-x,y,2/3-z'
  'x,x-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cr3+   3.000
  Cl1-  -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+   3 b 0.2222 0.1111 0. 1.  0 d
  Cr2   Cr3+   3 b 0.8889 0.4444 0. 1.  0 d
  Cl1   Cl1-   6 c 0.8889 0.1111 0.0731 1.  0 d
  Cl2   Cl1-   6 c 0.5556 0.4444 0.0731 1.  0 d
  Cl3   Cl1-   6 c 0.2222 0.7778 0.0731 1.  0 d