The crystal structure described by Ti2P crystallizes in the hexagonal P-62m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent P(1) and two equivalent P(2) atoms to form a mixture of distorted corner and edge-sharing TiP4 tetrahedra. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one P(1) and four equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to three equivalent Ti(2) and six equivalent Ti(1) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Ti(1) and six equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_Ti2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.605
_cell_length_b   6.605
_cell_length_c   3.506
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   132.474
_cell_formula_units_Z   3
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  0.254  0.500  1.0
  Ti  Ti1  1  0.254  1.000  0.500  1.0
  Ti  Ti2  1  0.746  0.746  0.500  1.0
  Ti  Ti3  1  0.592  0.000  0.000  1.0
  Ti  Ti4  1  0.408  0.408  0.000  1.0
  Ti  Ti5  1  1.000  0.592  0.000  1.0
  P  P6  1  1.000  1.000  0.000  1.0
  P  P7  1  0.667  0.333  0.500  1.0
  P  P8  1  0.333  0.667  0.500  1.0
[/CIF]
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The crystal structure described by Ti2P crystallizes in the hexagonal P-62m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent P(1) and two equivalent P(2) atoms to form a mixture of distorted corner and edge-sharing TiP4 tetrahedra. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one P(1) and four equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to three equivalent Ti(2) and six equivalent Ti(1) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Ti(1) and six equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_Ti2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.605
_cell_length_b   6.605
_cell_length_c   3.506
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   132.474
_cell_formula_units_Z   3
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  0.254  0.500  1.0
  Ti  Ti1  1  0.254  1.000  0.500  1.0
  Ti  Ti2  1  0.746  0.746  0.500  1.0
  Ti  Ti3  1  0.592  0.000  0.000  1.0
  Ti  Ti4  1  0.408  0.408  0.000  1.0
  Ti  Ti5  1  1.000  0.592  0.000  1.0
  P  P6  1  1.000  1.000  0.000  1.0
  P  P7  1  0.667  0.333  0.500  1.0
  P  P8  1  0.333  0.667  0.500  1.0
[/CIF]
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