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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/1/52/76/1527611.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_1527611
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            'Nb0.92 S'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            8
_cell_length_a                   6.702
_cell_length_b                   6.702
_cell_length_c                   6.405
_cell_volume                     249.149
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Kadijk_JCOMAH_1969_1603.cif
_cod_data_source_block           Nb0.92S1
_cod_original_cell_volume        249.1487
_cod_original_formula_sum        'Nb0.92 S1'
_cod_database_code               1527611
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
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,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+2 0 0 0 0.68 0.0
S2 S-2 0.3333 0.6667 0.25 1 0.0
Nb1 Nb+2 0.4785 0.957 0 1 0.0
S1 S-2 0.1636 0.3272 0.25 1 0.0
