#------------------------------------------------------------------------------
#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/12/1011293.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_1011293
loop_
_publ_author_name
'Grime, H'
'Santos, J A'
_publ_section_title
;
The structure and colour of anhydrous cobalt chloride Co Cl2, at room
and very low temperatures
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              136
_journal_page_last               141
_journal_volume                  88
_journal_year                    1934
_chemical_formula_structural     'Co Cl2'
_chemical_formula_sum            'Cl2 Co'
_chemical_name_systematic        'Cobalt chloride'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                33.43
_cell_angle_beta                 33.43
_cell_angle_gamma                33.43
_cell_formula_units_Z            1
_cell_length_a                   6.16
_cell_length_b                   6.16
_cell_length_c                   6.16
_cell_volume                     63.2
_database_code_amcsd             0010531
_exptl_crystal_density_diffrn    3.413
_cod_original_sg_symbol_H-M      'R -3 m R'
_cod_database_code               1011293
_amcsd_formula_title             CoCl2
loop_
_space_group_symop_operation_xyz
x,y,z
y,x,z
y,z,x
x,z,y
z,x,y
z,y,x
-x,-y,-z
-y,-x,-z
-y,-z,-x
-x,-z,-y
-z,-x,-y
-z,-y,-x
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
Co1 Co2+ 1 a 0. 0. 0. 1. 0 d
Cl1 Cl1- 2 c 0.25 0.25 0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Co2+ 2.000
Cl1- -1.000