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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/68/1536827.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_1536827
loop_
_publ_author_name
'Yartys', V.A.'
'Mitrokhin, S.V.'
'Verbetskii, V.N.'
'Semenenko, K.N.'
_publ_section_title
;
 Crystal structure of Ti Fe1.16 V0.84 D1.9.
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              32
_journal_page_last               37
_journal_volume                  37
_journal_year                    1992
_chemical_formula_sum            'D1.9 Fe1.16 Ti V0.84'
_chemical_name_systematic        'Ti Fe1.16 V0.84 D1.9'
_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            4
_cell_length_a                   5.067
_cell_length_b                   5.067
_cell_length_c                   8.28
_cell_volume                     184.104
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Yartys_ZNOKAQ_1992_1247.cif
_cod_data_source_block           D1.9Fe1.16Ti1V0.84
_cod_original_cell_volume        184.1038
_cod_original_formula_sum        'D1.9 Fe1.16 Ti1 V0.84'
_cod_database_code               1536827
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
Fe2 Fe 0.834 0.668 0.25 0.65 0.0
Fe1 Fe 0 0 0 0.38 0.0
V1 V 0 0 0 0.62 0.0
D1 D 0.245 0.49 0.25 0.29 0.0
Ti1 Ti 0.3333 0.6667 0.0705 1 0.0
V2 V 0.834 0.668 0.25 0.35 0.0
D2 D 0.31 0.364 0.932 0.24 0.0
