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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/1/53/65/1536557.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_1536557
loop_
_publ_author_name
'Khidirov, I.'
_publ_section_title
;
 Newtron diffraction study of titanium carbonitridohydride Ti Cx Ny Hz
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              571
_journal_page_last               576
_journal_volume                  32
_journal_year                    1996
_chemical_formula_sum            'C0.25 H0.19 N0.22 Ti'
_chemical_name_systematic        'Ti C0.25 N0.22 H0.19'
_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                   4.272
_cell_length_b                   4.272
_cell_length_c                   4.272
_cell_volume                     77.964
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Khidirov_IVNMAW_1996_1543.cif
_cod_data_source_block           C0.25H0.19N0.22Ti1
_cod_original_cell_volume        77.96392
_cod_original_formula_sum        'C0.25 H0.19 N0.22 Ti1'
_cod_database_code               1536557
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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
H2 H 0.25 0.25 0.25 0.085 0.0
N1 N 0 0 0 0.22 0.0
C1 C 0 0 0 0.25 0.0
Ti1 Ti 0.5 0.5 0.5 1 0.0
H1 H 0 0 0 0.02 0.0
