#------------------------------------------------------------------------------
#$Date: 2016-12-12 02:59:30 +0200 (Mon, 12 Dec 2016) $
#$Revision: 189061 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/35/8103599.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_8103599
loop_
_publ_author_name
'Tebbe, K. F.'
_publ_section_title
;
 Untersuchungen von Polyhalogeniden, die Kristallstruktur des
 Tetramminzink(II)-Hexaiodids (Zn (N H3) 4) (I3)2
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              297
_journal_page_last               306
_journal_volume                  153
_journal_year                    1980
_chemical_formula_sum            'H12 I6 N4 Zn'
_chemical_name_systematic        '(Zn (N H3)4) (I3)2'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.307
_cell_length_b                   9.307
_cell_length_c                   17.168
_cell_volume                     1287.863
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Tebbe_ZEKRDZ_1980_275.cif
_cod_data_source_block           H12I6N4Zn1
_cod_original_formula_sum        'H12 I6 N4 Zn1'
_cod_database_code               8103599
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+1/3
-x+y,-x,z+2/3
y,x,-z
-x,-x+y,-z+1/3
x-y,-y,-z+2/3
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
_atom_site_attached_hydrogens
Zn1 Zn+2 0 0.7197 0.16667 1 0.0 0
I2 I 0.2427 0.3501 0.1178 1 0.0 0
N1 N-3 0.069 0.876 0.075 1 0.0 3
N2 N-3 0.789 0.511 0.127 1 0.0 3
I3 I 0.6438 0.832 0.0988 1 0.0 0
I1 I 0.1323 0.5039 0.0063 1 0.0 0
