#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/20/1532050.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_1532050
loop_
_publ_author_name
'Renaudin, G.'
'Yvon, K.'
'Aghajanyan, N.N.'
'Dolukhanyan, S.K.'
'Shekhtman, V.Sh.'
_publ_section_title
;
 Crystal structures and thermal properties of titanium carbo-deuterides as
 prepared by combustion synthesis
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              120
_journal_page_last               127
_journal_volume                  356
_journal_year                    2003
_chemical_formula_sum            'C0.5 D0.707 Ti'
_chemical_name_systematic        'Ti C0.5 D0.707'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.08208
_cell_length_b                   3.08208
_cell_length_c                   5.04052
_cell_volume                     41.466
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Renaudin_JALCEU_2003_1425.cif
_cod_data_source_block           C0.5D0.707Ti1
_cod_original_cell_volume        41.46616
_cod_original_formula_sum        'C0.5 D0.707 Ti1'
_cod_database_code               1532050
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,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
C1 C 0 0 0 1 0.0
Ti1 Ti 0.3333 0.6667 0.2346 1 0.0
D1 D 0.3333 0.6667 0.6114 0.707 0.0
