#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/52/9015230.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_9015230
loop_
_publ_author_name
'Effenberger, H.'
_publ_section_title
;
 CdCu(OH)(AsO4), the first Cd member of the adelite-descloizite structure type
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              85
_journal_page_last               85
_journal_volume                  19
_journal_year                    2002
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As Cd Cu H O5'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.415
_cell_length_b                   5.890
_cell_length_c                   9.016
_cell_formula_units_Z            4
_cell_volume                     393.768
_database_code_amcsd             0019130
_exptl_crystal_density_diffrn    5.598
_cod_original_formula_sum        'Cd Cu As O5 H'
_cod_database_code               9015230
_amcsd_formula_title             CdCu(OH)(AsO4)
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+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
Cd 0.12235 0.25000 0.18220 0.01477
Cu 0.50000 0.00000 0.00000 0.00856
As 0.86997 0.75000 0.16222 0.00731
O1 0.87590 0.51130 0.26530 0.01350
O2 0.03550 0.75000 0.03580 0.02320
O3 0.68310 0.75000 0.05000 0.01420
O4 0.63580 0.25000 0.07140 0.00810
H 0.72400 0.25000 0.04400 0.00400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019130
