The material structure described by Li5TiP3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one P(1) and three equivalent P(2) atoms to form distorted LiP4 tetrahedra that share corners with three equivalent Li(3)P4 tetrahedra, corners with three equivalent Ti(1)P4 tetrahedra, corners with five equivalent Li(1)P4 tetrahedra, corners with five equivalent Li(2)P4 tetrahedra,  an edgeedge with one Li(1)P4 tetrahedra,  an edgeedge with one Li(3)P4 tetrahedra,  an edgeedge with one Ti(1)P4 tetrahedra, and edges with three equivalent Li(2)P4 tetrahedra. In the second Li site, Li(2) is bonded to one P(1) and three equivalent P(2) atoms to form distorted LiP4 tetrahedra that share corners with three equivalent Li(3)P4 tetrahedra, corners with three equivalent Ti(1)P4 tetrahedra, corners with five equivalent Li(1)P4 tetrahedra, corners with five equivalent Li(2)P4 tetrahedra,  an edgeedge with one Li(2)P4 tetrahedra,  an edgeedge with one Li(3)P4 tetrahedra,  an edgeedge with one Ti(1)P4 tetrahedra, and edges with three equivalent Li(1)P4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent P(1) and two equivalent P(2) atoms to form distorted LiP4 tetrahedra that share corners with two equivalent Li(3)P4 tetrahedra, corners with two equivalent Ti(1)P4 tetrahedra, corners with six equivalent Li(1)P4 tetrahedra, corners with six equivalent Li(2)P4 tetrahedra, edges with two equivalent Li(1)P4 tetrahedra, edges with two equivalent Li(2)P4 tetrahedra, and edges with two equivalent Ti(1)P4 tetrahedra. Ti(1) is bonded to two equivalent P(1) and two equivalent P(2) atoms to form distorted TiP4 tetrahedra that share corners with two equivalent Li(3)P4 tetrahedra, corners with two equivalent Ti(1)P4 tetrahedra, corners with six equivalent Li(1)P4 tetrahedra, corners with six equivalent Li(2)P4 tetrahedra, edges with two equivalent Li(1)P4 tetrahedra, edges with two equivalent Li(2)P4 tetrahedra, and edges with two equivalent Li(3)P4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a body-centered cubic geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), and two equivalent Ti(1) atoms. In the second P site, P(2) is bonded in a body-centered cubic geometry to one Li(3), three equivalent Li(1), three equivalent Li(2), and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5TiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.162
_cell_length_b   7.162
_cell_length_c   8.237
_cell_angle_alpha   73.315
_cell_angle_beta   73.315
_cell_angle_gamma   48.480
_symmetry_Int_Tables_number   1
_cell_volume   300.285
_cell_formula_units_Z   2
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
  Li  Li0  1  0.429  0.915  0.904  1.0
  Li  Li1  1  0.085  0.571  0.596  1.0
  Li  Li2  1  0.417  0.926  0.425  1.0
  Li  Li3  1  0.915  0.429  0.404  1.0
  Li  Li4  1  0.734  0.266  0.250  1.0
  Li  Li5  1  0.074  0.583  0.075  1.0
  Li  Li6  1  0.571  0.085  0.096  1.0
  Li  Li7  1  0.926  0.417  0.925  1.0
  Li  Li8  1  0.266  0.734  0.750  1.0
  Li  Li9  1  0.583  0.074  0.575  1.0
  Ti  Ti10  1  0.767  0.233  0.750  1.0
  Ti  Ti11  1  0.233  0.767  0.250  1.0
  P  P12  1  0.000  0.000  0.000  1.0
  P  P13  1  0.000  0.000  0.500  1.0
  P  P14  1  0.624  0.683  0.174  1.0
  P  P15  1  0.376  0.317  0.826  1.0
  P  P16  1  0.683  0.624  0.674  1.0
  P  P17  1  0.317  0.376  0.326  1.0
[/CIF]
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The material structure described by Li5TiP3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one P(1) and three equivalent P(2) atoms to form distorted LiP4 tetrahedra that share corners with three equivalent Li(3)P4 tetrahedra, corners with three equivalent Ti(1)P4 tetrahedra, corners with five equivalent Li(1)P4 tetrahedra, corners with five equivalent Li(2)P4 tetrahedra,  an edgeedge with one Li(1)P4 tetrahedra,  an edgeedge with one Li(3)P4 tetrahedra,  an edgeedge with one Ti(1)P4 tetrahedra, and edges with three equivalent Li(2)P4 tetrahedra. In the second Li site, Li(2) is bonded to one P(1) and three equivalent P(2) atoms to form distorted LiP4 tetrahedra that share corners with three equivalent Li(3)P4 tetrahedra, corners with three equivalent Ti(1)P4 tetrahedra, corners with five equivalent Li(1)P4 tetrahedra, corners with five equivalent Li(2)P4 tetrahedra,  an edgeedge with one Li(2)P4 tetrahedra,  an edgeedge with one Li(3)P4 tetrahedra,  an edgeedge with one Ti(1)P4 tetrahedra, and edges with three equivalent Li(1)P4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent P(1) and two equivalent P(2) atoms to form distorted LiP4 tetrahedra that share corners with two equivalent Li(3)P4 tetrahedra, corners with two equivalent Ti(1)P4 tetrahedra, corners with six equivalent Li(1)P4 tetrahedra, corners with six equivalent Li(2)P4 tetrahedra, edges with two equivalent Li(1)P4 tetrahedra, edges with two equivalent Li(2)P4 tetrahedra, and edges with two equivalent Ti(1)P4 tetrahedra. Ti(1) is bonded to two equivalent P(1) and two equivalent P(2) atoms to form distorted TiP4 tetrahedra that share corners with two equivalent Li(3)P4 tetrahedra, corners with two equivalent Ti(1)P4 tetrahedra, corners with six equivalent Li(1)P4 tetrahedra, corners with six equivalent Li(2)P4 tetrahedra, edges with two equivalent Li(1)P4 tetrahedra, edges with two equivalent Li(2)P4 tetrahedra, and edges with two equivalent Li(3)P4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a body-centered cubic geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), and two equivalent Ti(1) atoms. In the second P site, P(2) is bonded in a body-centered cubic geometry to one Li(3), three equivalent Li(1), three equivalent Li(2), and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5TiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.162
_cell_length_b   7.162
_cell_length_c   8.237
_cell_angle_alpha   73.315
_cell_angle_beta   73.315
_cell_angle_gamma   48.480
_symmetry_Int_Tables_number   1
_cell_volume   300.285
_cell_formula_units_Z   2
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
  Li  Li0  1  0.429  0.915  0.904  1.0
  Li  Li1  1  0.085  0.571  0.596  1.0
  Li  Li2  1  0.417  0.926  0.425  1.0
  Li  Li3  1  0.915  0.429  0.404  1.0
  Li  Li4  1  0.734  0.266  0.250  1.0
  Li  Li5  1  0.074  0.583  0.075  1.0
  Li  Li6  1  0.571  0.085  0.096  1.0
  Li  Li7  1  0.926  0.417  0.925  1.0
  Li  Li8  1  0.266  0.734  0.750  1.0
  Li  Li9  1  0.583  0.074  0.575  1.0
  Ti  Ti10  1  0.767  0.233  0.750  1.0
  Ti  Ti11  1  0.233  0.767  0.250  1.0
  P  P12  1  0.000  0.000  0.000  1.0
  P  P13  1  0.000  0.000  0.500  1.0
  P  P14  1  0.624  0.683  0.174  1.0
  P  P15  1  0.376  0.317  0.826  1.0
  P  P16  1  0.683  0.624  0.674  1.0
  P  P17  1  0.317  0.376  0.326  1.0
[/CIF]
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