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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/39/8103922.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_8103922
loop_
_publ_author_name
'Sondergeld, P.'
'Paulus, H.'
'Fuess, H.'
_publ_section_title
;
 Crystal structure of ammonium triiodocadmate monohydrate, (N H4) (Cd I3)
 (H2 O)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              376
_journal_page_last               377
_journal_volume                  208
_journal_year                    1993
_chemical_formula_sum            'Cd H6 I3 N O'
_chemical_name_systematic        '(N H4) (Cd I3) (H2 O)'
_space_group_IT_number           26
_symmetry_space_group_name_Hall  'P -2a 2a'
_symmetry_space_group_name_H-M   'P 21 m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.833
_cell_length_b                   8.696
_cell_length_c                   7.455
_cell_volume                     961.604
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Sondergeld_ZEKRDZ_1993_1588.cif
_cod_data_source_block           H6Cd1I3N1O1
_cod_original_cell_volume        961.6038
_cod_original_sg_symbol_Hall     'P 2c -2 (z,x,y)'
_cod_original_formula_sum        'H6 Cd1 I3 N1 O1'
_cod_database_code               8103922
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z
x,-y,z
x+1/2,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
I2 I-1 0.0594 0.5 0.9414 1 0.0
Cd2 Cd+2 0 0.5 0.2882 1 0.0
I4 I-1 0.8135 0 0.4818 1 0.0
Cd1 Cd+2 0.982 0 0.3332 1 0.0
O1 O-2 0.7158 0.833 0.055 1 0.0
I3 I-1 0.8168 0.5 0.3182 1 0.0
I5 I-1 0.08301 0.74959 0.4651 1 0.0
I1 I-1 0.976 0 0.9668 1 0.0
N1 N-3 0.8326 0.667 0.798 1 0.0
