#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/87/1528701.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_1528701
loop_
_publ_author_name
'Lode, C.'
'Krautscheid, H.'
_publ_section_title
;
 Iodostannate(II) mit kettenfoermigen [Sn I3](-)-Anionen - der Uebergang
 von fuenffach zu sechsfach koordinierten Sn(II)-Zentralatomen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              841
_journal_page_last               846
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'C4 H12 I3 N Sn'
_chemical_name_systematic        '((C H3)4 N) (Sn I3)'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.738
_cell_length_b                   9.738
_cell_length_c                   7.887
_cell_volume                     647.712
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Lode_ZAACAB_2001_1032.cif
_cod_data_source_block           C4H12I3N1Sn1
_cod_original_cell_volume        647.7121
_cod_original_formula_sum        'C4 H12 I3 N1 Sn1'
_cod_database_code               1528701
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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
I1 I-1 0.29706 0.12335 0.25 1 0.0
C1 C+4 0.174 0.6557 0.25 0.67 0.0
Sn1 Sn+2 0 0 0 1 0.0
C2 C+4 0.237 0.66 0.1 0.33 0.0
N1 N-3 0.3333 0.6667 0.25 1 0.0
