#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/11/4031180.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_4031180
loop_
_publ_author_name
'Kamat Dalal, V.N.'
'Keer, H.V.'
'Biswas, A.B.'
_publ_section_title
;
 Studies on some mixed chalcogenides
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              2839
_journal_page_last               2845
_journal_volume                  33
_journal_year                    1971
_chemical_formula_sum            'Mn0.6 Ni0.4 Te'
_chemical_name_systematic        '(Mn0.6 Ni0.4) Te'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.126
_cell_length_b                   4.126
_cell_length_c                   6.666
_cell_volume                     98.278
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            KamatDalal_JINCAO_1971_1139.cif
_cod_data_source_block           Mn0.6Ni0.4Te1
_cod_original_cell_volume        98.27756
_cod_original_formula_sum        'Mn0.6 Ni0.4 Te1'
_cod_database_code               4031180
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
-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
Te1 Te-2 0.3333 0.6667 0.25 1 0.0
Mn1 Mn+2 0 0 0 0.6 0.0
Ni1 Ni+2 0 0 0 0.4 0.0
