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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001506.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9001506
loop_
_publ_author_name
'Burns, P. C.'
'Hawthorne, F. C.'
_publ_section_title
;
 Tolbachite, CuCl2, the first example of Cu2+ octahedrally coordinated by Cl
;
_journal_name_full               'American Mineralogist'
_journal_page_first              187
_journal_page_last               189
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Cl2 Cu'
_chemical_name_mineral           Tolbachite
_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                 122.197
_cell_angle_gamma                90
_cell_length_a                   6.9038
_cell_length_b                   3.2995
_cell_length_c                   6.824
_cell_volume                     131.540
_exptl_crystal_density_diffrn    3.395
_[local]_cod_chemical_formula_sum_orig 'Cu Cl2'
_cod_database_code               9001506
_amcsd_database_code             AMCSD#0001543
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu 0.00000 0.00000 0.00000 0.00633
Cl 0.50480 0.00000 0.22940 0.01267