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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/36/7223679.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_7223679
loop_
_publ_author_name
'Tebbe, K.F.'
'Krauss, N.'
_publ_section_title
;
 Untersuchungen an Polypseudohalogeniden, VI Darstellung und
 Kristallstruktur des Natriumcyanoiodat(I)dihydrats, Na(I(CN)2)2H2O
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              637
_journal_page_last               640
_journal_volume                  44
_journal_year                    1989
_chemical_formula_sum            'C2 H4 I N2 Na O2'
_chemical_name_systematic        'Na (I (C N)2) (H2 O)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.94
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.44
_cell_length_b                   4.802
_cell_length_c                   7.302
_cell_volume                     364.105
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Tebbe_ZNBSEN_1989_1963.cif
_cod_data_source_block           C2H4I1N2Na1O2
_cod_original_cell_volume        364.1048
_cod_original_formula_sum        'C2 H4 I1 N2 Na1 O2'
_cod_database_code               7223679
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
H2 H+1 0.355 0.415 0.769 1 0.0
C1 C+2 0.1944 0.781 0.9742 1 0.0
H1 H+1 0.337 0.129 0.682 1 0.0
Na1 Na+1 0.5 0.5 0.5 1 0.0
I1 I+1 0 0 0 1 0.0
N1 N-3 0.2906 0.6892 0.9646 1 0.0
O1 O-2 0.3989 0.2527 0.7369 1 0.0
