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#$Date: 2015-10-14 11:41:53 +0300 (Wed, 14 Oct 2015) $
#$Revision: 168088 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/92/1539246.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_1539246
loop_
_publ_author_name
'Voroshilov, Yu.V.'
'Potorii, M.N.'
'Prits, I.P.'
'Seikovskaya, L.A.'
'Yatsenko, A.V.'
_publ_section_title
;
 Crystal structure of Sn2 P2 Se6.
;
_journal_name_full               Kristallografiya
_journal_page_first              1282
_journal_page_last               1283
_journal_volume                  33
_journal_year                    1988
_chemical_formula_sum            'P2 Se6 Sn2'
_chemical_name_systematic        'Sn2 (P2 Se6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 124.4
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.81
_cell_length_b                   7.679
_cell_length_c                   11.706
_cell_volume                     505.096
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Voroshilov_KRISAJ_1988_1046.cif
_cod_data_source_block           P2Se6Sn2
_cod_original_cell_volume        505.0961
_cod_database_code               1539246
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
Se1 Se-2 0.8787 0.0075 0.7693 1 0.0
Se3 Se-2 0.7862 0.6979 0.9585 1 0.0
P1 P+3 0.3751 0.1062 0.4351 1 0.0
Se2 Se-2 0.3917 0.8084 0.056 1 0.0
Sn1 Sn+3 0.7158 0.3749 0.754 1 0.0
