#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/76/1537620.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_1537620
loop_
_publ_author_name
'Agarwala, R.P.'
'Sinha, A.P.B.'
_publ_section_title
;
 Crystal structure of nickel selenide - Ni3 Se2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              203
_journal_page_last               206
_journal_volume                  289
_journal_year                    1957
_chemical_formula_sum            'Ni3 Se2'
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'P 3* 2'
_symmetry_space_group_name_H-M   'R 3 2 :R'
_cell_angle_alpha                90.65
_cell_angle_beta                 90.65
_cell_angle_gamma                90.65
_cell_formula_units_Z            1
_cell_length_a                   4.24
_cell_length_b                   4.24
_cell_length_c                   4.24
_cell_volume                     76.210
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Agarwala_ZAACAB_1957_1033.cif
_cod_data_source_block           Ni3Se2
_cod_original_cell_volume        76.21018
_cod_original_sg_symbol_Hall     'R 3 2" (-y+z,x+z,-x+y+z)'
_cod_database_code               1537620
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-z,-y,-x
-x,-z,-y
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
Se1 Se-2 0.25 0.25 0.25 1 0.0
Ni1 Ni+1 0.5 0.25 0.75 1 0.0
