#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/05/1010575.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
loop_
_publ_author_name
'Wooster, N'
_publ_section_title
;
The Structure of Chromium Trichloride Cr Cl₃
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              363
_journal_page_last               374
_journal_volume                  74
_journal_year                    1930
_chemical_formula_structural     'Cr Cl3'
_chemical_formula_sum            'Cl3 Cr'
_chemical_name_systematic        'Chromium chloride'
_space_group_IT_number           153
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      153
_symmetry_space_group_name_Hall  'P 32 2 (0 0 2)'
_symmetry_space_group_name_H-M   'P 32 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.017(1)
_cell_length_b                   6.017(1)
_cell_length_c                   17.3(1)
_cell_volume                     542.4
_exptl_crystal_density_meas      2.87
_cod_database_code               1010575
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cr3+ 3.000
Cl1- -1.000
