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#$Date: 2015-07-10 13:05:06 +0200 (Fri 10 de Jul de 2015) $
#$Revision: 141925 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/17/1521711.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_1521711
loop_
_publ_author_name
'Kalikhman, V.L.'
'Golubnichaya, A.A.'
_publ_section_title
;
 Structure of intermediate phases in quasibinary systems of disulfides of
 W, Mo, and Nb
;
_journal_name_full               Kristallografiya
_journal_page_first              801
_journal_page_last               802
_journal_volume                  28
_journal_year                    1983
_chemical_formula_sum            'Mo0.4 Nb0.6 S2'
_chemical_name_systematic        '(Mo0.4 Nb0.6) S2'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.2624
_cell_length_b                   3.2624
_cell_length_c                   17.981
_cell_volume                     165.737
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Kalikhman_KRISAJ_1983_1220.cif
_cod_data_source_block           Mo0.4Nb0.6S2
_cod_original_cell_volume        165.7368
_cod_database_code               1521711
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Mo1 Mo+4 0 0 0 0.4 0.0
S2 S-2 0 0 0.426 1 0.0
Nb1 Nb+4 0 0 0 0.6 0.0
S1 S-2 0 0 0.24 1 0.0
