#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/80/1528080.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_1528080
loop_
_publ_author_name
'Smeggil, J.G.'
_publ_section_title
;
 Void Channels in the Nb3 Te4, Ta2 S, and Nb2 Se Structure Types: The
 Structure of Nb3 Se4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              248
_journal_page_last               251
_journal_volume                  3
_journal_year                    1971
_chemical_formula_sum            'Nb3 Se4'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.0074
_cell_length_b                   10.0074
_cell_length_c                   3.4667
_cell_volume                     300.670
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Smeggil_JSSCBI_1971_1960.cif
_cod_data_source_block           Nb3Se4
_cod_original_cell_volume        300.6695
_cod_database_code               1528080
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,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
Se1 Se 0.3333 0.6667 0.25 1 0.0
Se2 Se 0.3385 0.28 0.25 1 0.0
Nb1 Nb 0.4876 0.1085 0.25 1 0.0
