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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/2/10/64/2106458.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106458
loop_
_publ_author_name
'Vilminot, S.'
'Granier, W.'
'le Cot, L.'
_publ_section_title
;
 Environnement de l'etain(II) dans les fluorohalogenures: etude de Sn3 Br
 F5
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              35
_journal_page_last               37
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Br F5 Sn3'
_chemical_name_systematic        'Sn3 Br F5'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.36
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.295
_cell_length_b                   12.639
_cell_length_c                   12.784
_cell_volume                     693.959
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Vilminot_ACBCAR_1978_815.cif
_cod_data_source_block           Br1F5Sn3
_cod_original_cell_volume        693.9595
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Br1 F5 Sn3'
_cod_database_code               2106458
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-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
F4 F-1 0.48 0.3408 0.3422 1 0.0
F5 F-1 -0.023 0.3934 0.2286 1 0.0
Br1 Br-1 -0.0117 0.1182 0.1205 1 0.0
F3 F-1 0.413 0.1203 0.5121 1 0.0
F1 F-1 0.002 0.0086 0.3791 1 0.0
Sn2 Sn+2 0.5738 0.3401 0.1273 1 0.0
Sn3 Sn+2 0.9298 0.3957 0.3975 1 0.0
F2 F-1 -0.018 0.2201 0.3946 1 0.0
Sn1 Sn+2 0.372 0.1126 0.3453 1 0.0
