#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/99/1539945.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_1539945
loop_
_publ_author_name
'Wells, A.F.'
_publ_section_title
;
 The crystal structure of anhydrous cupric chloride, and the
 stereochemistry of the cupric atom
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              1670
_journal_page_last               1675
_journal_volume                  1947
_journal_year                    1947
_chemical_formula_sum            'Cl2 Cu'
_chemical_name_systematic        'Cu Cl2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 121
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.85
_cell_length_b                   3.3
_cell_length_c                   6.7
_cell_volume                     129.821
_citation_journal_id_ASTM        JCSOA9
_cod_data_source_file            Wells_JCSOA9_1947_1495.cif
_cod_data_source_block           Cl2Cu1
_cod_original_formula_sum        'Cl2 Cu1'
_cod_database_code               1539945
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cl1 Cl-1 0.5 0 0.25 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
