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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/69/2106923.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_2106923
loop_
_publ_author_name
'Jeitschko, W.'
_publ_section_title
;
 The crystal structure of Ti Fe Si and related compounds
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              815
_journal_page_last               822
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'Fe Si Ti'
_chemical_name_systematic        'Ti Fe Si'
_space_group_IT_number           46
_symmetry_space_group_name_Hall  'I 2 -2a'
_symmetry_space_group_name_H-M   'I m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   6.997
_cell_length_b                   10.83
_cell_length_c                   6.287
_cell_volume                     476.413
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Jeitschko_ACBCAR_1970_25.cif
_cod_data_source_block           Fe1Si1Ti1
_cod_original_cell_volume        476.4132
_cod_original_formula_sum        'Fe1 Si1 Ti1'
_cod_database_code               2106923
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/2,y,z
x+1/2,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1,y+1/2,z+1/2
x+1,-y+1/2,z+1/2
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
Fe1 Fe 0.0295 0.3764 0.12 1 0.0
Fe2 Fe 0 0 0.2501 1 0.0
Ti2 Ti 0.25 0.7793 0.2707 1 0.0
Ti1 Ti 0.25 0.2004 0.2964 1 0.0
Ti3 Ti 0.25 0.9979 0.9178 1 0.0
Si1 Si 0.006 0.1675 0.9953 1 0.0
Si2 Si 0.25 0.9747 0.5055 1 0.0
