The compound described by C3Ti1 crystallizes in the orthorhombic Cmmm space group. Ti(1) is bonded in a distorted linear geometry to two equivalent C(1) and four equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to two equivalent Ti(1) atoms. In the second C site, C(2) is bonded in a distorted square co-planar geometry to two equivalent Ti(1) and two equivalent C(2) atoms. is represented by the CIF file [CIF]
data_TiC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.612
_cell_length_b   4.859
_cell_length_c   4.082
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.591
_symmetry_Int_Tables_number   1
_cell_volume   49.894
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  C  C1  1  0.000  0.000  0.500  1.0
  C  C2  1  0.500  0.500  0.000  1.0
  C  C3  1  0.000  0.500  0.000  1.0
[/CIF]
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The compound described by C3Ti1 crystallizes in the orthorhombic Cmmm space group. Ti(1) is bonded in a distorted linear geometry to two equivalent C(1) and four equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to two equivalent Ti(1) atoms. In the second C site, C(2) is bonded in a distorted square co-planar geometry to two equivalent Ti(1) and two equivalent C(2) atoms. is represented by the CIF file [CIF]
data_TiC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.612
_cell_length_b   4.859
_cell_length_c   4.082
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.591
_symmetry_Int_Tables_number   1
_cell_volume   49.894
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  C  C1  1  0.000  0.000  0.500  1.0
  C  C2  1  0.500  0.500  0.000  1.0
  C  C3  1  0.000  0.500  0.000  1.0
[/CIF]
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