The material structure described by Li11TiP5 crystallizes in the monoclinic Cm space group. There are eleven inequivalent Li sites. In the first Li site, Li(1) is bonded to one Li(7), one P(1), one P(4), and two equivalent P(3) atoms to form distorted LiLiP4 tetrahedra that share  a cornercorner with one Li(6)Li2P4 tetrahedra,  a cornercorner with one Li(4)LiP4 tetrahedra,  a cornercorner with one Li(11)P4 tetrahedra, corners with two equivalent Li(1)LiP4 tetrahedra, corners with two equivalent Li(8)LiP4 tetrahedra, corners with two equivalent Li(9)LiP4 tetrahedra, corners with two equivalent Li(3)P4 tetrahedra, corners with two equivalent Ti(1)P4 tetrahedra,  an edgeedge with one Li(9)LiP4 tetrahedra,  an edgeedge with one Li(5)P4 tetrahedra, edges with two equivalent Li(6)Li2P4 tetrahedra, edges with two equivalent Li(4)LiP4 tetrahedra, and  a faceface with one Li(8)LiP4 tetrahedra. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to two equivalent P(1) and two equivalent P(4) atoms. In the third Li site, Li(3) is bonded to one P(2), one P(5), and two equivalent P(4) atoms to form distorted LiP4 tetrahedra that share  a cornercorner with one Li(4)LiP4 tetrahedra,  a cornercorner with one Li(11)P4 tetrahedra, corners with two equivalent Li(6)Li2P4 tetrahedra, corners with two equivalent Li(1)LiP4 tetrahedra, corners with two equivalent Li(3)P4 tetrahedra, corners with three equivalent Li(9)LiP4 tetrahedra, corners with three equivalent Ti(1)P4 tetrahedra,  an edgeedge with one Li(8)LiP4 tetrahedra, edges with two equivalent Li(11)P4 tetrahedra, and edges with two equivalent Li(5)P4 tetrahedra. In the fourth Li site, Li(4) is bonded to one Li(7), one P(3), one P(5), and two equivalent P(1) atoms to form distorted LiLiP4 tetrahedra that share  a cornercorner with one Li(6)Li2P4 tetrahedra,  a cornercorner with one Li(1)LiP4 tetrahedra,  a cornercorner with one Li(3)P4 tetrahedra, corners with two equivalent Li(4)LiP4 tetrahedra, corners with two equivalent Li(8)LiP4 tetrahedra, corners with two equivalent Li(9)LiP4 tetrahedra, corners with two equivalent Li(11)P4 tetrahedra, corners with two equivalent Li(5)P4 tetrahedra,  an edgeedge with one Li(8)LiP4 tetrahedra,  an edgeedge with one Ti(1)P4 tetrahedra, edges with two equivalent Li(1)LiP4 tetrahedra,  a faceface with one Li(9)LiP4 tetrahedra, and faces with two equivalent Li(6)Li2P4 tetrahedra. In the fifth Li site, Li(5) is bonded to one P(1), one P(4), and two equivalent P(2) atoms to form distorted LiP4 tetrahedra that share  a cornercorner with one Li(6)Li2P4 tetrahedra,  a cornercorner with one Li(9)LiP4 tetrahedra, corners with two equivalent Li(4)LiP4 tetrahedra, corners with two equivalent Li(8)LiP4 tetrahedra, corners with two equivalent Li(5)P4 tetrahedra, corners with two equivalent Ti(1)P4 tetrahedra, corners with three equivalent Li(11)P4 tetrahedra,  an edgeedge with one Li(1)LiP4 tetrahedra,  an edgeedge with one Ti(1)P4 tetrahedra, edges with two equivalent Li(9)LiP4 tetrahedra, and edges with two equivalent Li(3)P4 tetrahedra. In the sixth Li site, Li(6) is bonded to two equivalent Li(7), one P(1), one P(3), and two equivalent P(5) atoms to form distorted LiLi2P4 tetrahedra that share  a cornercorner with one Li(1)LiP4 tetrahedra,  a cornercorner with one Li(4)LiP4 tetrahedra,  a cornercorner with one Li(5)P4 tetrahedra, corners with two equivalent Li(11)P4 tetrahedra, corners with two equivalent Li(3)P4 tetrahedra, corners with three equivalent Ti(1)P4 tetrahedra,  an edgeedge with one Li(11)P4 tetrahedra, edges with two equivalent Li(6)Li2P4 tetrahedra, edges with two equivalent Li(1)LiP4 tetrahedra, edges with two equivalent Li(9)LiP4 tetrahedra, faces with two equivalent Li(4)LiP4 tetrahedra, and faces with two equivalent Li(8)LiP4 tetrahedra. In the seventh Li site, Li(7) is bonded in a 13-coordinate geometry to one Li(1), one Li(4), one Li(8), one Li(9), two equivalent Li(10), two equivalent Li(6), one P(4), two equivalent P(1), and two equivalent P(3) atoms. In the eighth Li site, Li(8) is bonded to one Li(7), one P(2), one P(5), and two equivalent P(3) atoms to form distorted LiLiP4 tetrahedra that share  a cornercorner with one Ti(1)P4 tetrahedra, corners with two equivalent Li(1)LiP4 tetrahedra, corners with two equivalent Li(4)LiP4 tetrahedra, corners with two equivalent Li(8)LiP4 tetrahedra, corners with two equivalent Li(9)LiP4 tetrahedra, corners with two equivalent Li(5)P4 tetrahedra, corners with three equivalent Li(11)P4 tetrahedra,  an edgeedge with one Li(4)LiP4 tetrahedra,  an edgeedge with one Li(3)P4 tetrahedra, edges with two equivalent Ti(1)P4 tetrahedra,  a faceface with one Li(1)LiP4 tetrahedra, and faces with two equivalent Li(6)Li2P4 tetrahedra. In the ninth Li site, Li(9) is bonded to one Li(7), one P(2), one P(4), and two equivalent P(1) atoms to form distorted LiLiP4 tetrahedra that share  a cornercorner with one Li(5)P4 tetrahedra, corners with two equivalent Li(1)LiP4 tetrahedra, corners with two equivalent Li(4)LiP4 tetrahedra, corners with two equivalent Li(8)LiP4 tetrahedra, corners with two equivalent Li(9)LiP4 tetrahedra, corners with two equivalent Ti(1)P4 tetrahedra, corners with three equivalent Li(3)P4 tetrahedra,  an edgeedge with one Li(1)LiP4 tetrahedra,  an edgeedge with one Li(11)P4 tetrahedra, edges with two equivalent Li(6)Li2P4 tetrahedra, edges with two equivalent Li(5)P4 tetrahedra, and  a faceface with one Li(4)LiP4 tetrahedra. In the tenth Li site, Li(10) is bonded in a 3-coordinate geometry to two equivalent Li(7), one P(1), and two equivalent P(4) atoms. In the eleventh Li site, Li(11) is bonded to one P(2), one P(4), and two equivalent P(5) atoms to form distorted LiP4 tetrahedra that share  a cornercorner with one Li(1)LiP4 tetrahedra,  a cornercorner with one Li(3)P4 tetrahedra, corners with two equivalent Li(6)Li2P4 tetrahedra, corners with two equivalent Li(4)LiP4 tetrahedra, corners with two equivalent Li(11)P4 tetrahedra, corners with three equivalent Li(8)LiP4 tetrahedra, corners with three equivalent Li(5)P4 tetrahedra,  an edgeedge with one Li(6)Li2P4 tetrahedra,  an edgeedge with one Li(9)LiP4 tetrahedra, edges with two equivalent Li(3)P4 tetrahedra, and edges with two equivalent Ti(1)P4 tetrahedra. Ti(1) is bonded to one P(3), one P(5), and two equivalent P(2) atoms to form distorted TiP4 tetrahedra that share  a cornercorner with one Li(8)LiP4 tetrahedra, corners with two equivalent Li(1)LiP4 tetrahedra, corners with two equivalent Li(9)LiP4 tetrahedra, corners with two equivalent Li(5)P4 tetrahedra, corners with two equivalent Ti(1)P4 tetrahedra, corners with three equivalent Li(6)Li2P4 tetrahedra, corners with three equivalent Li(3)P4 tetrahedra,  an edgeedge with one Li(4)LiP4 tetrahedra,  an edgeedge with one Li(5)P4 tetrahedra, edges with two equivalent Li(8)LiP4 tetrahedra, and edges with two equivalent Li(11)P4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 12-coordinate geometry to one Li(1), one Li(10), one Li(5), one Li(6), two equivalent Li(2), two equivalent Li(4), two equivalent Li(7), and two equivalent Li(9) atoms. In the second P site, P(2) is bonded in a body-centered cubic geometry to one Li(11), one Li(3), one Li(8), one Li(9), two equivalent Li(5), and two equivalent Ti(1) atoms. In the third P site, P(3) is bonded in a 7-coordinate geometry to one Li(4), one Li(6), two equivalent Li(1), two equivalent Li(7), two equivalent Li(8), and one Ti(1) atom. In the fourth P site, P(4) is bonded in a 11-coordinate geometry to one Li(1), one Li(11), one Li(5), one Li(7), one Li(9), two equivalent Li(10), two equivalent Li(2), and two equivalent Li(3) atoms. In the fifth P site, P(5) is bonded in a body-centered cubic geometry to one Li(3), one Li(4), one Li(8), two equivalent Li(11), two equivalent Li(6), and one Ti(1) atom. is represented by the CIF file [CIF]
data_Li11TiP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.189
_cell_length_b   7.189
_cell_length_c   10.270
_cell_angle_alpha   63.329
_cell_angle_beta   63.329
_cell_angle_gamma   33.241
_symmetry_Int_Tables_number   1
_cell_volume   257.070
_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
  Li  Li0  1  0.198  0.198  0.923  1.0
  Li  Li1  1  0.604  0.604  0.097  1.0
  Li  Li2  1  0.607  0.607  0.350  1.0
  Li  Li3  1  0.601  0.601  0.849  1.0
  Li  Li4  1  0.991  0.991  0.255  1.0
  Li  Li5  1  0.020  0.020  0.739  1.0
  Li  Li6  1  0.394  0.394  0.919  1.0
  Li  Li7  1  0.416  0.416  0.641  1.0
  Li  Li8  1  0.383  0.383  0.169  1.0
  Li  Li9  1  0.797  0.797  0.078  1.0
  Li  Li10  1  0.194  0.194  0.435  1.0
  Ti  Ti11  1  0.797  0.797  0.558  1.0
  P  P12  1  0.995  0.995  0.003  1.0
  P  P13  1  0.388  0.388  0.420  1.0
  P  P14  1  0.808  0.808  0.784  1.0
  P  P15  1  0.192  0.192  0.183  1.0
  P  P16  1  0.614  0.614  0.598  1.0
[/CIF]
.
The material structure described by Li11TiP5 crystallizes in the monoclinic Cm space group. There are eleven inequivalent Li sites. In the first Li site, Li(1) is bonded to one Li(7), one P(1), one P(4), and two equivalent P(3) atoms to form distorted LiLiP4 tetrahedra that share  a cornercorner with one Li(6)Li2P4 tetrahedra,  a cornercorner with one Li(4)LiP4 tetrahedra,  a cornercorner with one Li(11)P4 tetrahedra, corners with two equivalent Li(1)LiP4 tetrahedra, corners with two equivalent Li(8)LiP4 tetrahedra, corners with two equivalent Li(9)LiP4 tetrahedra, corners with two equivalent Li(3)P4 tetrahedra, corners with two equivalent Ti(1)P4 tetrahedra,  an edgeedge with one Li(9)LiP4 tetrahedra,  an edgeedge with one Li(5)P4 tetrahedra, edges with two equivalent Li(6)Li2P4 tetrahedra, edges with two equivalent Li(4)LiP4 tetrahedra, and  a faceface with one Li(8)LiP4 tetrahedra. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to two equivalent P(1) and two equivalent P(4) atoms. In the third Li site, Li(3) is bonded to one P(2), one P(5), and two equivalent P(4) atoms to form distorted LiP4 tetrahedra that share  a cornercorner with one Li(4)LiP4 tetrahedra,  a cornercorner with one Li(11)P4 tetrahedra, corners with two equivalent Li(6)Li2P4 tetrahedra, corners with two equivalent Li(1)LiP4 tetrahedra, corners with two equivalent Li(3)P4 tetrahedra, corners with three equivalent Li(9)LiP4 tetrahedra, corners with three equivalent Ti(1)P4 tetrahedra,  an edgeedge with one Li(8)LiP4 tetrahedra, edges with two equivalent Li(11)P4 tetrahedra, and edges with two equivalent Li(5)P4 tetrahedra. In the fourth Li site, Li(4) is bonded to one Li(7), one P(3), one P(5), and two equivalent P(1) atoms to form distorted LiLiP4 tetrahedra that share  a cornercorner with one Li(6)Li2P4 tetrahedra,  a cornercorner with one Li(1)LiP4 tetrahedra,  a cornercorner with one Li(3)P4 tetrahedra, corners with two equivalent Li(4)LiP4 tetrahedra, corners with two equivalent Li(8)LiP4 tetrahedra, corners with two equivalent Li(9)LiP4 tetrahedra, corners with two equivalent Li(11)P4 tetrahedra, corners with two equivalent Li(5)P4 tetrahedra,  an edgeedge with one Li(8)LiP4 tetrahedra,  an edgeedge with one Ti(1)P4 tetrahedra, edges with two equivalent Li(1)LiP4 tetrahedra,  a faceface with one Li(9)LiP4 tetrahedra, and faces with two equivalent Li(6)Li2P4 tetrahedra. In the fifth Li site, Li(5) is bonded to one P(1), one P(4), and two equivalent P(2) atoms to form distorted LiP4 tetrahedra that share  a cornercorner with one Li(6)Li2P4 tetrahedra,  a cornercorner with one Li(9)LiP4 tetrahedra, corners with two equivalent Li(4)LiP4 tetrahedra, corners with two equivalent Li(8)LiP4 tetrahedra, corners with two equivalent Li(5)P4 tetrahedra, corners with two equivalent Ti(1)P4 tetrahedra, corners with three equivalent Li(11)P4 tetrahedra,  an edgeedge with one Li(1)LiP4 tetrahedra,  an edgeedge with one Ti(1)P4 tetrahedra, edges with two equivalent Li(9)LiP4 tetrahedra, and edges with two equivalent Li(3)P4 tetrahedra. In the sixth Li site, Li(6) is bonded to two equivalent Li(7), one P(1), one P(3), and two equivalent P(5) atoms to form distorted LiLi2P4 tetrahedra that share  a cornercorner with one Li(1)LiP4 tetrahedra,  a cornercorner with one Li(4)LiP4 tetrahedra,  a cornercorner with one Li(5)P4 tetrahedra, corners with two equivalent Li(11)P4 tetrahedra, corners with two equivalent Li(3)P4 tetrahedra, corners with three equivalent Ti(1)P4 tetrahedra,  an edgeedge with one Li(11)P4 tetrahedra, edges with two equivalent Li(6)Li2P4 tetrahedra, edges with two equivalent Li(1)LiP4 tetrahedra, edges with two equivalent Li(9)LiP4 tetrahedra, faces with two equivalent Li(4)LiP4 tetrahedra, and faces with two equivalent Li(8)LiP4 tetrahedra. In the seventh Li site, Li(7) is bonded in a 13-coordinate geometry to one Li(1), one Li(4), one Li(8), one Li(9), two equivalent Li(10), two equivalent Li(6), one P(4), two equivalent P(1), and two equivalent P(3) atoms. In the eighth Li site, Li(8) is bonded to one Li(7), one P(2), one P(5), and two equivalent P(3) atoms to form distorted LiLiP4 tetrahedra that share  a cornercorner with one Ti(1)P4 tetrahedra, corners with two equivalent Li(1)LiP4 tetrahedra, corners with two equivalent Li(4)LiP4 tetrahedra, corners with two equivalent Li(8)LiP4 tetrahedra, corners with two equivalent Li(9)LiP4 tetrahedra, corners with two equivalent Li(5)P4 tetrahedra, corners with three equivalent Li(11)P4 tetrahedra,  an edgeedge with one Li(4)LiP4 tetrahedra,  an edgeedge with one Li(3)P4 tetrahedra, edges with two equivalent Ti(1)P4 tetrahedra,  a faceface with one Li(1)LiP4 tetrahedra, and faces with two equivalent Li(6)Li2P4 tetrahedra. In the ninth Li site, Li(9) is bonded to one Li(7), one P(2), one P(4), and two equivalent P(1) atoms to form distorted LiLiP4 tetrahedra that share  a cornercorner with one Li(5)P4 tetrahedra, corners with two equivalent Li(1)LiP4 tetrahedra, corners with two equivalent Li(4)LiP4 tetrahedra, corners with two equivalent Li(8)LiP4 tetrahedra, corners with two equivalent Li(9)LiP4 tetrahedra, corners with two equivalent Ti(1)P4 tetrahedra, corners with three equivalent Li(3)P4 tetrahedra,  an edgeedge with one Li(1)LiP4 tetrahedra,  an edgeedge with one Li(11)P4 tetrahedra, edges with two equivalent Li(6)Li2P4 tetrahedra, edges with two equivalent Li(5)P4 tetrahedra, and  a faceface with one Li(4)LiP4 tetrahedra. In the tenth Li site, Li(10) is bonded in a 3-coordinate geometry to two equivalent Li(7), one P(1), and two equivalent P(4) atoms. In the eleventh Li site, Li(11) is bonded to one P(2), one P(4), and two equivalent P(5) atoms to form distorted LiP4 tetrahedra that share  a cornercorner with one Li(1)LiP4 tetrahedra,  a cornercorner with one Li(3)P4 tetrahedra, corners with two equivalent Li(6)Li2P4 tetrahedra, corners with two equivalent Li(4)LiP4 tetrahedra, corners with two equivalent Li(11)P4 tetrahedra, corners with three equivalent Li(8)LiP4 tetrahedra, corners with three equivalent Li(5)P4 tetrahedra,  an edgeedge with one Li(6)Li2P4 tetrahedra,  an edgeedge with one Li(9)LiP4 tetrahedra, edges with two equivalent Li(3)P4 tetrahedra, and edges with two equivalent Ti(1)P4 tetrahedra. Ti(1) is bonded to one P(3), one P(5), and two equivalent P(2) atoms to form distorted TiP4 tetrahedra that share  a cornercorner with one Li(8)LiP4 tetrahedra, corners with two equivalent Li(1)LiP4 tetrahedra, corners with two equivalent Li(9)LiP4 tetrahedra, corners with two equivalent Li(5)P4 tetrahedra, corners with two equivalent Ti(1)P4 tetrahedra, corners with three equivalent Li(6)Li2P4 tetrahedra, corners with three equivalent Li(3)P4 tetrahedra,  an edgeedge with one Li(4)LiP4 tetrahedra,  an edgeedge with one Li(5)P4 tetrahedra, edges with two equivalent Li(8)LiP4 tetrahedra, and edges with two equivalent Li(11)P4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 12-coordinate geometry to one Li(1), one Li(10), one Li(5), one Li(6), two equivalent Li(2), two equivalent Li(4), two equivalent Li(7), and two equivalent Li(9) atoms. In the second P site, P(2) is bonded in a body-centered cubic geometry to one Li(11), one Li(3), one Li(8), one Li(9), two equivalent Li(5), and two equivalent Ti(1) atoms. In the third P site, P(3) is bonded in a 7-coordinate geometry to one Li(4), one Li(6), two equivalent Li(1), two equivalent Li(7), two equivalent Li(8), and one Ti(1) atom. In the fourth P site, P(4) is bonded in a 11-coordinate geometry to one Li(1), one Li(11), one Li(5), one Li(7), one Li(9), two equivalent Li(10), two equivalent Li(2), and two equivalent Li(3) atoms. In the fifth P site, P(5) is bonded in a body-centered cubic geometry to one Li(3), one Li(4), one Li(8), two equivalent Li(11), two equivalent Li(6), and one Ti(1) atom. is represented by the CIF file [CIF]
data_Li11TiP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.189
_cell_length_b   7.189
_cell_length_c   10.270
_cell_angle_alpha   63.329
_cell_angle_beta   63.329
_cell_angle_gamma   33.241
_symmetry_Int_Tables_number   1
_cell_volume   257.070
_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
  Li  Li0  1  0.198  0.198  0.923  1.0
  Li  Li1  1  0.604  0.604  0.097  1.0
  Li  Li2  1  0.607  0.607  0.350  1.0
  Li  Li3  1  0.601  0.601  0.849  1.0
  Li  Li4  1  0.991  0.991  0.255  1.0
  Li  Li5  1  0.020  0.020  0.739  1.0
  Li  Li6  1  0.394  0.394  0.919  1.0
  Li  Li7  1  0.416  0.416  0.641  1.0
  Li  Li8  1  0.383  0.383  0.169  1.0
  Li  Li9  1  0.797  0.797  0.078  1.0
  Li  Li10  1  0.194  0.194  0.435  1.0
  Ti  Ti11  1  0.797  0.797  0.558  1.0
  P  P12  1  0.995  0.995  0.003  1.0
  P  P13  1  0.388  0.388  0.420  1.0
  P  P14  1  0.808  0.808  0.784  1.0
  P  P15  1  0.192  0.192  0.183  1.0
  P  P16  1  0.614  0.614  0.598  1.0
[/CIF]
.