#------------------------------------------------------------------------------
#$Date: 2015-07-11 16:28:49 +0300 (Sat, 11 Jul 2015) $
#$Revision: 144918 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/42/1524228.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_1524228
loop_
_publ_author_name
'Clauss, A.'
_publ_section_title
;
 Die Kristallstruktur von Ni3 Bi2 Se2
;
_journal_name_full               Naturwissenschaften
_journal_page_first              145
_journal_page_last               145
_journal_volume                  64
_journal_year                    1977
_chemical_formula_sum            'Bi2 Ni3 Se2'
_chemical_name_systematic        'Ni3 Bi2 Se2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 133.24
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.224
_cell_length_b                   8.188
_cell_length_c                   8.1
_cell_volume                     542.294
_citation_journal_id_ASTM        NATWAY
_cod_data_source_file            Clauss_NATWAY_1977_979.cif
_cod_data_source_block           Bi2Ni3Se2
_cod_original_cell_volume        542.2935
_cod_database_code               1524228
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
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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 0.0266 0.2831 0.8099 1 0.0
Ni1 Ni 0.25 0.25 0.5 1 0.0
Bi2 Bi 0.2177 0 0.702 1 0.0
Ni2 Ni 0.018 0 0.7904 1 0.0
Bi1 Bi 0.2509 0 0.2569 1 0.0
Ni3 Ni 0 0.2737 0.5 1 0.0
