data_global
_amcsd_formula_title 'Ti3SiC2'
loop_
_publ_author_name
'Kisi E H'
'Crossley J A A'
'Myhra S'
'Barsoum M W'
_journal_name_full 'Journal of Physics and Chemistry of Solids'
_journal_volume 59 
_journal_year 1998
_journal_page_first 1437
_journal_page_last 1443
_publ_section_title
;
 Structure and crystal chemistry of Ti3SiC2
 Note: a MAX phase
;
_database_code_amcsd 0013252
_chemical_formula_sum 'Ti3 Si C2'
_cell_length_a 3.0575
_cell_length_b 3.0575
_cell_length_c 17.6235
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 142.678
_exptl_crystal_density_diffrn      4.556
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ti1   0.00000   0.00000   0.00000
Ti2   0.66667   0.33333   0.13550
Si   0.00000   0.00000   0.25000
C   0.33333   0.66667   0.07220