The compound described by Ti2C is trigonal omega-like structured and crystallizes in the cubic Fd-3m space group. Ti(1) is bonded in a distorted T-shaped geometry to three equivalent C(1) atoms. C(1) is bonded to six equivalent Ti(1) atoms to form edge-sharing CTi6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.099
_cell_length_b   6.099
_cell_length_c   6.099
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   160.405
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti0  1  0.768  0.244  0.244  1.0
  Ti  Ti1  1  0.244  0.768  0.244  1.0
  Ti  Ti2  1  0.244  0.244  0.768  1.0
  Ti  Ti3  1  0.756  0.756  0.756  1.0
  Ti  Ti4  1  0.756  0.232  0.756  1.0
  Ti  Ti5  1  0.232  0.756  0.756  1.0
  Ti  Ti6  1  0.756  0.756  0.232  1.0
  Ti  Ti7  1  0.244  0.244  0.244  1.0
  C  C8  1  0.000  0.500  0.000  1.0
  C  C9  1  0.500  0.000  0.000  1.0
  C  C10  1  0.000  0.000  0.500  1.0
  C  C11  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Ti2C is trigonal omega-like structured and crystallizes in the cubic Fd-3m space group. Ti(1) is bonded in a distorted T-shaped geometry to three equivalent C(1) atoms. C(1) is bonded to six equivalent Ti(1) atoms to form edge-sharing CTi6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.099
_cell_length_b   6.099
_cell_length_c   6.099
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   160.405
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti0  1  0.768  0.244  0.244  1.0
  Ti  Ti1  1  0.244  0.768  0.244  1.0
  Ti  Ti2  1  0.244  0.244  0.768  1.0
  Ti  Ti3  1  0.756  0.756  0.756  1.0
  Ti  Ti4  1  0.756  0.232  0.756  1.0
  Ti  Ti5  1  0.232  0.756  0.756  1.0
  Ti  Ti6  1  0.756  0.756  0.232  1.0
  Ti  Ti7  1  0.244  0.244  0.244  1.0
  C  C8  1  0.000  0.500  0.000  1.0
  C  C9  1  0.500  0.000  0.000  1.0
  C  C10  1  0.000  0.000  0.500  1.0
  C  C11  1  0.000  0.000  0.000  1.0
[/CIF]
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