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#$Date: 2015-10-20 19:25:54 +0300 (Tue, 20 Oct 2015) $
#$Revision: 169339 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/01/1540147.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_1540147
loop_
_publ_author_name
'Il'nitskaya, O.N.'
'Zavalii, P.Yu.'
'Kuz'ma, Yu.B.'
_publ_section_title
;
 The new compound Ni3.36 Si1.76 P6 and its crystal structure
;
_journal_name_full
;
Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta 
Biologichni Nauki
;
_journal_page_first              38
_journal_page_last               40
_journal_volume                  1989
_journal_year                    1989
_chemical_formula_sum            'Ni3.36 P6 Si1.76'
_chemical_name_systematic        'Ni3.36 Si1.76 P6'
_space_group_IT_number           44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.5058
_cell_length_b                   11.0868
_cell_length_c                   5.313
_cell_volume                     206.506
_citation_journal_id_ASTM        DANND6
_cod_data_source_file            Ilnitskaya_DANND6_1989_574.cif
_cod_data_source_block           Ni3.36P6Si1.76
_cod_original_cell_volume        206.5062
_cod_database_code               1540147
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-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
Ni1 Ni 0 0.16771 0 0.84 0.0
P1 P 0 0 0.2386 1 0.0
Si1 Si 0 0.16771 0 0.16 0.0
P2 P 0 0.3303 0.2471 1 0.0
Si2 Si 0 0.5 0.0189 0.56 0.0
