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#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/07/2100704.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2100704
loop_
_publ_author_name
'Tirry, Wim'
'Schryvers, Dominique'
'Jorissen, Kevin'
'Lamoen, Dirk'
_publ_contact_author_address
;University of Antwerp
Department of physics
EMAT
Groenenborgerlaan 171
2020 Antwerp, Belgium
;
_publ_contact_author_email       wim.tirry@ua.ac.be
_publ_contact_author_name        'Wim Tirry'
_publ_contact_author_phone       '0032 3 265 3263'
_publ_section_title
;
 Electron-diffraction structure refinement of Ni₄Ti₃ precipitates
 in Ni₅₂Ti₄₈
;
_journal_coeditor_code           LC5049
_journal_date_accepted           2006-09-08
_journal_date_recd_electronic    2006-03-22
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              966
_journal_page_last               971
_journal_paper_category          FA
_journal_paper_doi               10.1107/S0108768106036457
_journal_volume                  62
_journal_year                    2006
_chemical_formula_moiety         'Ni4 Ti3'
_chemical_formula_sum            'Ni4 Ti3'
_chemical_name_common            Ni4Ti3
_chemical_name_systematic        Ni4Ti3
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                113.838
_cell_angle_beta                 113.838
_cell_angle_gamma                113.838
_cell_length_a                   6.6695
_cell_length_b                   6.6695
_cell_length_c                   6.6695
_cell_volume                     182.390
_diffrn_ambient_temperature      293
_diffrn_radiation_type           monochromatic
_diffrn_radiation_wavelength     0.01968749
_cod_data_source_file            lc5049.cif
_cod_data_source_block           added_by_encifer
_cod_original_sg_symbol_H-M      'r -3:r'
_cod_database_code               2100704
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
2 'z, x, y'
3 'y, z, x'
4 '-x, -y, -z'
5 '-z, -x, -y'
6 '-y, -z, -x'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni0+ Ni1 0 0 0 1.
Ni0+ Ni2 0.5 0.5 0.5 1.
Ni0+ Ni3 0.0605 0.5931 0.7574 1.
Ti0+ Ti1 0.4989 0.1125 0.2513 1.
loop_
_atom_type_symbol
Ni0+
Ti0+
