#------------------------------------------------------------------------------
#$Date: 2015-10-12 23:27:20 +0200 (lun 12 de oct de 2015) $
#$Revision: 166789 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/70/2107078.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_2107078
loop_
_publ_author_name
'Moras, D.'
'Mitschler, A.'
'Weiss, R.'
_publ_section_title
;
 Etude Structure du Dioxychlorure de Phosphore-hexachloro
 dietain(IV)-di-mue-dichlorophosphate. I. Structure Cristalline
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1720
_journal_page_last               1726
_journal_volume                  25
_journal_year                    1969
_chemical_formula_sum            'Cl16 O6 P4 Sn2'
_chemical_name_systematic        '((Sn Cl3 P O Cl3) (P O2 Cl2))2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.75
_cell_angle_beta                 120.85
_cell_angle_gamma                91.75
_cell_formula_units_Z            1
_cell_length_a                   9.435
_cell_length_b                   10.65
_cell_length_c                   8.583
_cell_volume                     680.577
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Moras_ACBCAR_1969_1137.cif
_cod_data_source_block           Cl16O6P4Sn2
_cod_original_cell_volume        680.5771
_cod_database_code               2107078
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
P1 P+5 0.2083 -0.0655 -0.004 1 0.0
Cl1 Cl-1 0.172 0.4229 0.4936 1 0.0
Cl4 Cl-1 0.4052 -0.0953 0.2167 1 0.0
O2 O-2 0.0586 -0.1751 -0.0863 1 0.0
Cl7 Cl-1 0.0063 -0.2573 0.2895 1 0.0
Cl2 Cl-1 0.1866 0.0775 0.428 1 0.0
Cl8 Cl-1 0.3919 0.3173 -0.0257 1 0.0
Cl6 Cl-1 0.2054 0.5542 -0.0107 1 0.0
O1 O-2 0.1829 0.3509 0.1256 1 0.0
Cl3 Cl-1 0.5034 0.2957 0.4624 1 0.0
Cl5 Cl-1 0.2703 -0.0918 -0.1954 1 0.0
Sn1 Sn+4 0.2074 0.2354 0.2985 1 0.0
O3 O-2 0.1953 0.0797 0.0611 1 0.0
P2 P+5 0.1942 0.3666 -0.0291 1 0.0
