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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/86/1528655.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_1528655
loop_
_publ_author_name
'Kubiak, R.'
'Horyn, R.'
'Broda, H.'
'Lukaszewicz, K.'
_publ_section_title
;
 Refinement of the Crystal Structure of Nb Si2, Nb Ge2 and Ta Ge2
;
_journal_name_full
;
Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques
;
_journal_page_first              429
_journal_page_last               436
_journal_volume                  20
_journal_year                    1972
_chemical_formula_sum            'Nb Si2'
_space_group_IT_number           180
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.819
_cell_length_b                   4.819
_cell_length_c                   6.592
_cell_volume                     132.575
_citation_journal_id_ASTM        BAPCAQ
_cod_data_source_file            Kubiak_BAPCAQ_1972_116.cif
_cod_data_source_block           Nb1Si2
_cod_original_sg_symbol_Hall     'P 62 2 (x,y,z+1/3)'
_cod_original_formula_sum        'Nb1 Si2'
_cod_database_code               1528655
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/3
-y,x-y,z+2/3
-x,-y,z
-x+y,-x,z+1/3
y,-x+y,z+2/3
-y,-x,-z+2/3
x-y,-y,-z
x,x-y,-z+1/3
y,x,-z+2/3
-x+y,y,-z
-x,-x+y,-z+1/3
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
Nb1 Nb 0.5 0 0.5 1 0.0
Si1 Si 0.1599 0.3198 0.5 1 0.0
