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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/2/10/72/2107255.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_2107255
loop_
_publ_author_name
'Kadijk, F.'
'Huisman, R.'
'Jellinek, F.'
_publ_section_title
;
 The crystal structures of niobium(III) selenide and tantalum(III)
 selenide
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1102
_journal_page_last               1106
_journal_volume                  24
_journal_year                    1968
_chemical_formula_sum            'Nb2 Se3'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.39
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.503
_cell_length_b                   3.434
_cell_length_c                   9.215
_cell_volume                     200.189
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Kadijk_ACBCAR_1968_1268.cif
_cod_data_source_block           Nb2Se3
_cod_database_code               2107255
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-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
Nb2 Nb+3 0.1138 0.25 0.6369 1 0.0
Se2 Se-2 0.9733 0.25 0.1564 1 0.0
Se3 Se-2 0.7279 0.25 0.5144 1 0.0
Nb1 Nb+3 0.3147 0.25 0.0036 1 0.0
Se1 Se-2 0.5211 0.25 0.7967 1 0.0
