#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/49/9014996.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_9014996
loop_
_publ_author_name
'Harker, D.'
_publ_section_title
;
 The Crystal Structure of Cupric Chloride Dihydrate Cu Cl2 (H2 O)2
 _cod_database_code 1011014
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              136
_journal_page_last               145
_journal_volume                  93
_journal_year                    1936
_chemical_formula_sum            'Cl2 Cu O2'
_chemical_name_mineral           Eriochalcite
_space_group_IT_number           53
_symmetry_space_group_name_Hall  '-P 2ab 2ab'
_symmetry_space_group_name_H-M   'P b m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.38
_cell_length_b                   8.04
_cell_length_c                   3.72
_cell_formula_units_Z            2
_cell_volume                     220.727
_database_code_amcsd             0017922
_exptl_crystal_density_diffrn    2.504
_cod_duplicate_entry             1011014
_cod_original_formula_sum        'Cu O2 Cl2'
_cod_database_code               9014996
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,-z
1/2-x,1/2-y,z
x,-y,z
-x,y,-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Cu1 0.00000 0.00000 0.00000 0
O1 0.00000 0.25000 0.00000 2
Cl1 0.25000 0.00000 0.37000 0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017922
