data_Ti5P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5P
_chemical_formula_sum   'Ti5 P1'
_cell_volume   95.76
_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  Ti1  1  0.62  0.62  0.81  1.0
  Ti  Ti2  1  0.62  0.62  0.29  1.0
  Ti  Ti3  1  0.0  0.0  0.21  1.0
  Ti  Ti4  1  0.0  0.0  0.89  1.0
  Ti  Ti5  1  0.62  0.62  0.55  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Ti5P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti5P
_chemical_formula_sum   'Ti10 P2'
_cell_volume   191.52
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.21  1.0
  Ti  Ti1  2  0.0  0.0  0.89  1.0
  Ti  Ti2  2  0.12  0.5  0.29  1.0
  Ti  Ti3  2  0.12  0.5  0.55  1.0
  Ti  Ti4  2  0.12  0.5  0.81  1.0
  P  P5  2  0.0  0.0  0.0  1.0

Ti Ti Ti Ti Ti P
Ti5P crystallizes in the monoclinic Cm space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1,2) is bonded in a 4-coordinate geometry to one Ti(5) and three equivalent Ti(4) atoms. The Ti(1,2)-Ti(5) bond length is 2.39 Å. There is one shorter (1.87 Å) and two longer (2.46 Å) Ti(1,2)-Ti(4) bond lengths. In the second Ti site, Ti(3) is bonded in a distorted single-bond geometry to three equivalent Ti(1,2) and one P(1) atom. There is one shorter (1.87 Å) and two longer (2.46 Å) Ti(3)-Ti(1,2) bond lengths. The Ti(3)-P(1) bond length is 1.94 Å. In the third Ti site, Ti(4) is bonded in a single-bond geometry to three equivalent Ti(1,2) and one P(1) atom. The Ti(4)-P(1) bond length is 1.00 Å. In the fourth Ti site, Ti(5) is bonded to two equivalent Ti(1,2) and four equivalent Ti(5) atoms to form a mixture of distorted edge and corner-sharing TiTi6 octahedra. The corner-sharing octahedra are not tilted. All Ti(5)-Ti(5) bond lengths are 3.24 Å. P(1) is bonded in a distorted linear geometry to one Ti(3) and one Ti(4) atom.