#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/09/2310985.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310985
loop_
_publ_author_name
'Toman, K.'
_publ_section_title
;
 The structure of Ni2 Si
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              329
_journal_page_last               331
_journal_volume                  5
_journal_year                    1952
_chemical_formula_sum            'Ni2 Si'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.06
_cell_length_b                   4.99
_cell_length_c                   3.72
_cell_volume                     131.053
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Toman_ACCRA9_1952_163.cif
_cod_data_source_block           Ni2Si1
_cod_original_cell_volume        131.0534
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Ni2 Si1'
_cod_database_code               2310985
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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
Ni2 Ni+2 0.203 0.042 0.75 1 0.0
Ni1 Ni+2 0.063 0.325 0.25 1 0.0
Si1 Si-4 0.386 0.263 0.25 1 0.0
