###############################################################################
# Laves, F.;Wallbaum, H.J. (1939)
# Zeitschrift fuer Krist., Kristallgeometrie, Kristallphysik, Kristallchemie \
# (-144,1977) 101, 78-93
# Die Kristallstruktur von Ni3 Ti und Si2 Ti
# 
# CIF by ICSD-for-WWW,  Copyright 2003 FIZ-Karlsruhe & A.W.Hewat (hewat@ill.fr)
# NOT TO BE PUBLISHED IN ANY FORM. See http://icsd.ill.fr/icsd/conditions.html
###############################################################################

data_30217-ICSD
_database_code_ICSD                30217
_audit_creation_date               1980-01-01
_chemical_name_systematic
'Titanium silicide (1/2)'
_chemical_formula_structural       
'Si2 Ti'
_chemical_formula_sum              
'Si2 Ti1'
_publ_section_title                
'Si2 Ti1'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Zeitschrift fuer Krist., Kristallgeometr' 1939 101 78 93 ZEKGAX
loop_
_publ_author_name
Laves, F.;Wallbaum, H.J.
_cell_length_a                     8.236
_cell_length_b                     4.773
_cell_length_c                     8.523
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       335.0405
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'F d d d'
_symmetry_Int_Tables_number        70
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
   1   'x+1/4, y+1/4, -z+1/4'
   2   '-x+1/4, y+1/4, z+1/4'
   3   '-x, -y, z'
   4   'x, -y, -z'
   5   'x+1/4, -y+1/4, z+1/4'
   6   '-x+1/4, -y+1/4, -z+1/4'
   7   '-x, y, -z'
   8   'x, y, z'
   9   'x+1/4, y+3/4, -z+3/4'
  10   '-x+1/4, y+3/4, z+3/4'
  11   '-x, -y+1/2, z+1/2'
  12   'x, -y+1/2, -z+1/2'
  13   'x+1/4, -y+3/4, z+3/4'
  14   '-x+1/4, -y+3/4, -z+3/4'
  15   '-x, y+1/2, -z+1/2'
  16   'x, y+1/2, z+1/2'
  17   'x+3/4, y+1/4, -z+3/4'
  18   '-x+3/4, y+1/4, z+3/4'
  19   '-x+1/2, -y, z+1/2'
  20   'x+1/2, -y, -z+1/2'
  21   'x+3/4, -y+1/4, z+3/4'
  22   '-x+3/4, -y+1/4, -z+3/4'
  23   '-x+1/2, y, -z+1/2'
  24   'x+1/2, y, z+1/2'
  25   'x+3/4, y+3/4, -z+1/4'
  26   '-x+3/4, y+3/4, z+1/4'
  27   '-x+1/2, -y+1/2, z'
  28   'x+1/2, -y+1/2, -z'
  29   'x+3/4, -y+3/4, z+1/4'
  30   '-x+3/4, -y+3/4, -z+1/4'
  31   '-x+1/2, y+1/2, -z'
  32   'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ti0+     0.
Si0+     0.
 loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Ti1 Ti0+ 8 a 0 0 0 0. 1.
Si1 Si0+ 16 e 0.333 0 0 0. 1.
#End of data_30217-ICSD

Jmol script terminated
