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#$Date: 2015-07-12 18:46:58 +0300 (Sun, 12 Jul 2015) $
#$Revision: 147228 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/61/1526117.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_1526117
loop_
_publ_author_name
'Nakamura, Y.'
'Oikawa, K.I.'
'Kamiyama, T.'
'Akiba, E.'
_publ_section_title
;
 Crystal structure of two hydrides formed from a Ti - V - Mn BCC solid
 solution alloy studied by time-of-flight neutron powder diffraction - a
 Na Cl structure and a Ca F2 structure
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              284
_journal_page_last               289
_journal_volume                  316
_journal_year                    2001
_chemical_formula_sum            'D1.32 Mn0.6 Ti0.667 V0.733'
_chemical_name_systematic        '(Ti0.667 V0.733 Mn0.6) D1.32'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   2.9188
_cell_length_b                   2.9188
_cell_length_c                   3.7685
_cell_volume                     32.105
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Nakamura_JALCEU_2001_1195.cif
_cod_data_source_block           D1.32Mn0.6Ti0.667V0.733
_cod_original_cell_volume        32.10534
_cod_database_code               1526117
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,z+1/2
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
Mn1 Mn 0 0 0 0.3 0.0
V1 V 0 0 0 0.367 0.0
D1 D 0 0 0.5 0.66 0.0
Ti1 Ti 0 0 0 0.333 0.0
