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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/4/03/16/4031666.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_4031666
loop_
_publ_author_name
'Nersesyan, M.D.'
_publ_section_title
;
 The synthesis of titanium and zirconium nitride hydrides under combustion
 conditions
;
_journal_name_full
;
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)
;
_journal_page_first              495
_journal_page_last               497
_journal_volume                  29
_journal_year                    1984
_chemical_formula_sum            'H2 Ti'
_chemical_name_systematic        'Ti H2'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.465
_cell_length_b                   4.465
_cell_length_c                   4.465
_cell_volume                     89.015
_citation_journal_id_ASTM        RJICAQ
_cod_data_source_file            Nersesyan_RJICAQ_1984_91.cif
_cod_data_source_block           H2Ti1
_cod_original_cell_volume        89.01525
_cod_original_formula_sum        'H2 Ti1'
_cod_database_code               4031666
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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
Ti1 Ti 0 0 0 1 0.0
H1 H 0.25 0.25 0.25 1 0.0
