#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/44/8104412.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_8104412
loop_
_publ_author_name
'Chattopadhyay, T.K.'
'von Schnering, H.G.'
_publ_section_title
;
 Pyrite-type silicon diphosphide p-Si P2: Structural parameters and
 valence electron density distribution
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              1
_journal_page_last               12
_journal_volume                  167
_journal_year                    1984
_chemical_formula_sum            'P2 Si'
_chemical_name_systematic        'Si P2'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.691
_cell_length_b                   5.691
_cell_length_c                   5.691
_cell_volume                     184.317
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Chattopadhyay_ZEKRDZ_1984_1825.cif
_cod_data_source_block           P2Si1
_cod_original_cell_volume        184.3172
_cod_original_formula_sum        'P2 Si1'
_cod_database_code               8104412
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
z,x,y
-z+1/2,-x,y+1/2
z+1/2,-x+1/2,-y
-z,x+1/2,-y+1/2
y,z,x
y+1/2,-z+1/2,-x
-y,z+1/2,-x+1/2
-y+1/2,-z,x+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,z-1/2
-z,-x,-y
z-1/2,x,-y-1/2
-z-1/2,x-1/2,y
z,-x-1/2,y-1/2
-y,-z,-x
-y-1/2,z-1/2,x
y,-z-1/2,x-1/2
y-1/2,z,-x-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
P1 P-2 0.39064 0.39064 0.39064 1 0.0
Si1 Si+4 0 0 0 1 0.0
