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#$Date: 2015-07-13 03:55:00 +0300 (Mon, 13 Jul 2015) $
#$Revision: 149046 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/03/2310397.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_2310397
loop_
_publ_author_name
'Gronvold, F.'
'Kjekshus, A.'
'Raaum, F.'
_publ_section_title
;
 The crystal structure of Ti5 Te4
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              930
_journal_page_last               934
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Te4 Ti5'
_chemical_name_systematic        'Ti5 Te4'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.164
_cell_length_b                   10.164
_cell_length_c                   3.772
_cell_volume                     389.674
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Gronvold_ACCRA9_1961_1465.cif
_cod_data_source_block           Te4Ti5
_cod_original_cell_volume        389.6736
_cod_database_code               2310397
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+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
Te1 Te 0.0589 0.2797 0 1 0.0
Ti1 Ti 0 0 0 1 0.0
Ti2 Ti 0.3144 0.3752 0 1 0.0
