#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/87/1528777.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1528777
loop_
_publ_author_name
'Oswald, H.R.'
_publ_section_title
;
 Kristallstruktur von Cadmium-Kupfer-Hydroxidnitrat, Cd Cu3 (O H)6 (N O3)2
 H2 O
;
_journal_name_full               'Helvetica Chimica Acta'
_journal_page_first              2369
_journal_page_last               2380
_journal_volume                  52
_journal_year                    1969
_chemical_formula_sum            'Cd Cu3 H8 N2 O13'
_chemical_name_systematic        'Cd Cu3 (O H)6 (N O3)2 H2 O'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.522
_cell_length_b                   6.522
_cell_length_c                   7.012
_cell_volume                     258.306
_citation_journal_id_ASTM        HCACAV
_cod_data_source_file            Oswald_HCACAV_1969_390.cif
_cod_data_source_block           H8Cd1Cu3N2O13
_cod_original_cell_volume        258.3058
_cod_original_formula_sum        'H8 Cd1 Cu3 N2 O13'
_cod_database_code               1528777
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O2 O-2 0.3333 0.6667 0.782 1 0.0
O1 O-2 0.182 0.364 0.135 1 0.0
Cd1 Cd+2 0 0 0 1 0.0
O4 O-2 0 0 0.5 1 0.0
O3 O-2 0.469 0.283 0.486 0.3333 0.0
Cu1 Cu+2 0.5 0 0 1 0.0
N1 N+5 0.649 0.298 0.389 0.3333 0.0
