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#$Date: 2016-01-01 14:35:03 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172367 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/11/1541134.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_1541134
loop_
_publ_author_name
'Pivan, J.Y.'
'Guerin, P.'
'Padiou, J.'
'Sergent, M.'
_publ_section_title
;
 Preparation and crystal structure of the semiconducting compound Sn4.2
 Si9 P16
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              26
_journal_page_last               32
_journal_volume                  76
_journal_year                    1988
_chemical_formula_sum            'P15.99 Si9 Sn4.2'
_chemical_name_systematic        'Si9 Sn4 P16'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   15.665
_cell_length_b                   15.665
_cell_length_c                   8.761
_cell_volume                     1861.852
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Pivan_JSSCBI_1988_601.cif
_cod_data_source_block           P15.99Si9Sn4.2
_cod_database_code               1541134
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
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 0.2311 0.962 0.47 1 0.0
Sn3 Sn 0.97023 0.7761 0.5097 1 0.0
Si3 Si 0.4052 0.2234 0.2236 1 0.0
Sn1 Sn 0 0 0 1 0.0
Sn2 Sn 0 0 0.5764 0.2 0.0
P3 P 0.6115 0.9101 0.4658 1 0.0
P6 P 0.085 0.079 0.267 0.33 0.0
P5 P 0.9207 0.4384 0.4781 1 0.0
Si2 Si 0.2336 0.8261 0.5542 1 0.0
Si1 Si 0.3805 0.0823 0.547 1 0.0
P2 P 0.4076 0.2312 0.4786 1 0.0
P4 P 0.8663 0.8835 0.7929 1 0.0
