#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/76/1527610.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_1527610
loop_
_publ_author_name
'Kadijk, F.'
'Jellinek, F.'
_publ_section_title
;
 The system niobium-sulfur
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              421
_journal_page_last               430
_journal_volume                  19
_journal_year                    1969
_chemical_formula_sum            'Nb0.9 S'
_chemical_name_systematic        'Nb0.92 S'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.845
_cell_length_b                   3.334
_cell_length_c                   6.396
_cell_volume                     124.640
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Kadijk_JCOMAH_1969_1602.cif
_cod_data_source_block           Nb0.9S1
_cod_original_cell_volume        124.6403
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,y,-x)'
_cod_original_formula_sum        'Nb0.9 S1'
_cod_database_code               1527610
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x,y+1/2,-z
-x,-y,-z
-x-1/2,y,z-1/2
x-1/2,y-1/2,-z-1/2
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
S1 S 0.587 0.25 0.233 1 0.0
Nb1 Nb 0.212 0.25 0.024 0.9 0.0
