#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/68/2106860.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_2106860
loop_
_publ_author_name
'Conard, B.R.'
'Norrby, L.J.'
'Franzen, H.F.'
_publ_section_title
;
 The crystal structure of Nb2 Se
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1729
_journal_page_last               1735
_journal_volume                  25
_journal_year                    1969
_chemical_formula_sum            'Nb2 Se'
_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                 91.76
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.992
_cell_length_b                   3.422
_cell_length_c                   9.283
_cell_volume                     444.266
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Conard_ACBCAR_1969_1138.cif
_cod_data_source_block           Nb2Se1
_cod_original_cell_volume        444.2661
_cod_original_formula_sum        'Nb2 Se1'
_cod_database_code               2106860
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 0.141 0 0.8627 1 0.0
Nb2 Nb 0.0839 0 0.3988 1 0.0
Nb3 Nb 0.4127 0 0.3491 1 0.0
Nb4 Nb 0.2568 0 0.6228 1 0.0
Nb1 Nb 0.2155 0 0.1251 1 0.0
Se2 Se 0.4253 0 0.8157 1 0.0
