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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/8/10/39/8103984.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_8103984
loop_
_publ_author_name
'Thiele, G.'
'Serr, B.R.'
_publ_section_title
;
 Crystal structure of trimethylammonium bromostannate(II), (C H3)3 N H Sn
 Br3
;
_journal_name_full
;
Zeitschrift fuer Kristallographie - New Crystal Structures
;
_journal_page_first              46
_journal_page_last               46
_journal_volume                  211
_journal_year                    1996
_chemical_formula_sum            'C3 H10 Br3 N Sn'
_chemical_name_systematic        '(C H3)3 N H Sn Br3'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.73
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.381
_cell_length_b                   12.571
_cell_length_c                   6.513
_cell_volume                     518.844
_citation_journal_id_ASTM        ZKNSFT
_cod_data_source_file            Thiele_ZKNSFT_1996_1866.cif
_cod_data_source_block           C3H10Br3N1Sn1
_cod_original_cell_volume        518.8439
_cod_original_formula_sum        'C3 H10 Br3 N1 Sn1'
_cod_database_code               8103984
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-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
H5 H+1 0.2966 0.28 0.9598 1 0.0
H1 H+1 0.1269 0.1702 1.1408 1 0.0
Br1 Br-1 0.4461 0.2123 0.519 1 0.0
H3 H+1 -0.1275 0.21 0.7894 1 0.0
H6 H+1 0.2339 0.3401 1.1544 1 0.0
Br3 Br-1 0.4393 0.0125 0.07 1 0.0
C3 C-2 0.1175 0.745 0.7993 1 0.0
N1 N-3 0.0414 0.2182 1.0676 1 0.0
H7 H+1 0.1029 0.3576 0.938 1 0.0
C1 C-2 -0.0436 0.162 0.8794 1 0.0
Sn1 Sn+2 0.44768 -7e-05 0.478 1 0.0
H9 H+1 0.1796 0.681 0.7536 1 0.0
H4 H+1 -0.1296 0.1037 0.915 1 0.0
C2 C-2 0.1807 0.3066 1.0264 1 0.0
H2 H+1 0.0706 0.1353 0.8105 1 0.0
H8 H+1 0.0533 0.784 0.6816 1 0.0
Br2 Br-1 0.0291 -0.0076 0.4402 1 0.0
H10 H+1 0.2249 0.7879 0.8745 1 0.0
