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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/01/1540148.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_1540148
loop_
_publ_author_name
'Il'nitskaya, O.N.'
'Bruskov, V.A.'
'Zavalii, P.Yu.'
'Kuz'ma, Yu.B.'
_publ_section_title
;
 New compound Ni Si3 P4 and its structure
;
_journal_name_full
;
Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)
;
_journal_page_first              1108
_journal_page_last               1110
_journal_volume                  27
_journal_year                    1991
_chemical_formula_sum            'Ni P4 Si3'
_chemical_name_systematic        'Ni Si3 P4'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.1598
_cell_length_b                   5.1598
_cell_length_c                   10.35
_cell_volume                     275.554
_citation_journal_id_ASTM        INOMAF
_cod_data_source_file            Ilnitskaya_INOMAF_1991_617.cif
_cod_data_source_block           Ni1P4Si3
_cod_original_cell_volume        275.5536
_cod_original_formula_sum        'Ni1 P4 Si3'
_cod_database_code               1540148
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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
P1 P 0.2428 0.2428 0.8814 0.5 0.0
Si2 Si 0 0.5 0.25 1 0.0
Si1 Si 0 0 0.5 1 0.0
Ni1 Ni 0 0 0 1 0.0
