#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/03/1530373.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_1530373
loop_
_publ_author_name
'Mayer, H.W.'
'Alasafi, K.M.'
'Bernauer, O.'
_publ_section_title
;
 Strukturuntersuchungen an Ti Me1.87 und Ti Me1.87 D2.36 (Me= V.40 Mn.60)
 mittels Neutronenbeugung
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              7
_journal_page_last               10
_journal_volume                  88
_journal_year                    1982
_chemical_formula_sum            'D2.46 Mn1.2 Ti V0.8'
_chemical_name_systematic        'Ti V.80 Mn1.20 D2.46'
_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                   5.229
_cell_length_b                   5.229
_cell_length_c                   8.581
_cell_volume                     203.192
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Mayer_JCOMAH_1982_947.cif
_cod_data_source_block           D2.46Mn1.2Ti1V0.8
_cod_original_cell_volume        203.1917
_cod_original_formula_sum        'D2.46 Mn1.2 Ti1 V0.8'
_cod_database_code               1530373
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
D3 D 0.445 0.89 0.25 0.238 0.0
V2 V 0.829 0.658 0.25 0.4 0.0
D4 D 0.538 0.076 0.103 0.199 0.0
Ti1 Ti 0.3333 0.6667 0.073 1 0.0
V1 V 0 0 0 0.4 0.0
Mn2 Mn 0.829 0.658 0.25 0.6 0.0
Mn1 Mn 0 0 0 0.6 0.0
D1 D 0.299 -0.02 0.086 0.212 0.0
D2 D 0.3333 0.6667 0.626 0.239 0.0
