#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/42/9014211.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_9014211
loop_
_publ_author_name
'Effenberger, H.'
_publ_section_title
;
 CdCu(OH)3(NO3), a new layer compound
;
_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            'Cd Cu H3 N O6'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.44
_cell_angle_gamma                90
_cell_length_a                   5.846
_cell_length_b                   6.613
_cell_length_c                   6.697
_cell_formula_units_Z            2
_cell_volume                     255.397
_database_code_amcsd             0019131
_exptl_crystal_density_diffrn    3.758
_cod_original_formula_sum        'Cd Cu N O6 H3'
_cod_database_code               9014211
_amcsd_formula_title             CdCu(OH)3(NO3)
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-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_occupancy
_atom_site_U_iso_or_equiv
Cd 0.51128 0.25000 0.91491 1.00000 0.02250
Cu 0.00000 0.00000 0.00000 1.00000 0.01480
N 0.27060 0.25000 0.40770 1.00000 0.03040
O-ON1 0.25980 0.25000 0.21980 1.00000 0.03240
O-ON2 0.45940 0.25000 0.52020 1.00000 0.04740
O-ON3 0.09080 0.20300 0.47620 0.50000 0.06800
O-OH1 0.88180 0.25000 0.84860 1.00000 0.01810
O-OH2 0.72460 0.01370 0.12910 1.00000 0.01970
H1 0.92900 0.25000 0.75200 1.00000 0.03000
H2 0.76300 0.04400 0.24400 1.00000 0.08000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019131
