#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/14/9011489.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_9011489
loop_
_publ_author_name
'Brownstein, S.'
'Han, N. F.'
'Gabe, E.'
'LePage, Y.'
_publ_section_title
;
 A redetermination of the crystal structure of cupric chloride dihydrate
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              13
_journal_page_last               15
_journal_paper_doi               10.1524/zkri.1989.189.1-2.13
_journal_volume                  189
_journal_year                    1989
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl2 Cu H4 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                   7.4141
_cell_length_b                   8.0886
_cell_length_c                   3.7458
_cell_formula_units_Z            2
_cell_volume                     224.634
_database_code_amcsd             0010986
_exptl_crystal_density_diffrn    2.520
_cod_original_formula_sum        'Cu Cl2 O2 H4'
_cod_database_code               9011489
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_U_iso_or_equiv
Cu 0.00000 0.00000 0.00000 0.02115
Cl 0.23998 0.00000 0.37980 0.02267
O 0.00000 0.24020 0.00000 0.03192
H 0.09900 0.27500 0.06400 0.06839
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010986
