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#$Date: 2015-10-09 16:43:36 +0300 (Fri, 09 Oct 2015) $
#$Revision: 162182 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/68/2106885.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_2106885
loop_
_publ_author_name
'Marsh, R.E.'
'Herbstein, F.H.'
_publ_section_title
;
 Some additional changes in space groups of published crystal structures
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              280
_journal_page_last               287
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'F3 I Sn2'
_chemical_name_systematic        'Sn2 I F3'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2 (y,-x,z)'
_symmetry_space_group_name_H-M   'C m c m (b,-a,c)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.502
_cell_length_b                   4.371
_cell_length_c                   9.34
_cell_volume                     551.221
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Marsh_ASBSDK_1983_582.cif
_cod_data_source_block           F3I1Sn2
_cod_cif_authors_sg_H-M          'C c m m'
_cod_chemical_formula_sum_orig   'F3 I1 Sn2'
_cod_database_code               2106885
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,-z
x,-y,-z+1/2
-x,-y,-z
x,y,-z-1/2
x,-y,z
-x,y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
x+1/2,-y+1/2,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
F1 F-1 0.2085 0 0.538 1 0.0
I1 I-1 0.0167 0 0.25 1 0.0
F2 F-1 0.2887 0 0.25 1 0.0
Sn1 Sn+2 0.362 0 0.4359 1 0.0