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#$Date: 2016-07-07 11:09:50 +0300 (Thu, 07 Jul 2016) $
#$Revision: 184280 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/45/9014590.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_9014590
loop_
_publ_author_name
'Hendricks, S.'
'Dickinson, R.'
_publ_section_title
;
 The Crystal Structure of ammonium, potassium and rubidium cupric
 chloride dihydrates
 _cod_database_code 1011065
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2149
_journal_page_last               2162
_journal_paper_doi               10.1021/ja01408a005
_journal_volume                  49
_journal_year                    1927
_chemical_formula_sum            'Cl4 Cu K2 O2'
_chemical_name_mineral           Mitscherlichite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.45
_cell_length_b                   7.45
_cell_length_c                   7.88
_cell_volume                     437.360
_database_code_amcsd             0017964
_exptl_crystal_density_diffrn    2.396
_cod_duplicate_entry             1011065
_cod_original_formula_sum        'Cu K2 Cl4 O2'
_cod_database_code               9014590
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
y,x,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
x,y,-z
-x,-y,z
y,x,z
-y,-x,-z
1/2-y,1/2+x,1/2-z
1/2+y,1/2-x,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1 0.00000 0.00000 0.00000
K1 0.00000 0.50000 0.25000
Cl1 0.21300 0.21300 0.00000
Cl2 0.21700 -0.21700 0.00000
O1 0.00000 0.00000 0.32000