#------------------------------------------------------------------------------
#$Date: 2015-09-18 01:12:12 +0200 (vie 18 de sep de 2015) $
#$Revision: 157296 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/17/1531744.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_1531744
loop_
_publ_author_name
'Mitrokhin, S.V.'
'Smirnova, T.N.'
'Somenkov, V.A.'
'Glazkov, V.P.'
'Verbetskii, V.N.'
_publ_section_title
;
 Structure of (Ti, Zr) - Mn - V nonstoichiometric Laves phases and (Ti0.9
 Zr0.1) (Mn0.75 V0.15 Ti0.1)2 D2.8 deuteride
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              80
_journal_page_last               83
_journal_volume                  356
_journal_year                    2003
_chemical_formula_sum            'Mn1.48 Ti1.1 V0.3 Zr0.12'
_chemical_name_systematic        '(Ti0.88 Zr0.12) (Mn0.74 V0.15 Ti0.11)2'
_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                   4.906
_cell_length_b                   4.906
_cell_length_c                   8.062
_cell_volume                     168.046
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Mitrokhin_JALCEU_2003_1435.cif
_cod_data_source_block           Mn1.48Ti1.1V0.3Zr0.12
_cod_original_cell_volume        168.0461
_cod_database_code               1531744
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
Ti2 Ti 0.827 0.654 0.25 0.15 0.0
Zr1 Zr 0.3333 0.6667 0.059 0.12 0.0
Mn2 Mn 0.827 0.654 0.25 0.85 0.0
V1 V 0 0 0 0.61 0.0
Ti1 Ti 0.3333 0.6667 0.059 0.88 0.0
Mn1 Mn 0 0 0 0.39 0.0
