LiTi2Zn2(PO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(8), and one O(9) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-39°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-39°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(10), one O(4), one O(7), and one O(8) atom to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to one O(2), one O(5), one O(6), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-50°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and  a cornercorner with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-46°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(2), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one Zn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(2), one Zn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(2), one Zn(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a trigonal pyramidal geometry to one Li(1), one Ti(1), one Ti(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Zn(1) atom.
LiTi2Zn2(PO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(8), and one O(9) atom. The Li(1)-O(3) bond length is 2.11 Å. The Li(1)-O(5) bond length is 1.98 Å. The Li(1)-O(8) bond length is 1.88 Å. The Li(1)-O(9) bond length is 1.87 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-39°. The Ti(1)-O(10) bond length is 1.97 Å. The Ti(1)-O(2) bond length is 2.17 Å. The Ti(1)-O(4) bond length is 2.17 Å. The Ti(1)-O(5) bond length is 2.27 Å. The Ti(1)-O(7) bond length is 2.12 Å. The Ti(1)-O(9) bond length is 2.08 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-39°. The Ti(2)-O(1) bond length is 2.25 Å. The Ti(2)-O(10) bond length is 1.94 Å. The Ti(2)-O(3) bond length is 2.23 Å. The Ti(2)-O(6) bond length is 2.13 Å. The Ti(2)-O(8) bond length is 2.24 Å. The Ti(2)-O(9) bond length is 2.07 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(10), one O(4), one O(7), and one O(8) atom to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-60°. The Zn(1)-O(1) bond length is 2.37 Å. The Zn(1)-O(10) bond length is 1.93 Å. The Zn(1)-O(4) bond length is 2.10 Å. The Zn(1)-O(7) bond length is 2.21 Å. The Zn(1)-O(8) bond length is 2.11 Å. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to one O(2), one O(5), one O(6), and one O(9) atom. The Zn(2)-O(2) bond length is 2.08 Å. The Zn(2)-O(5) bond length is 2.11 Å. The Zn(2)-O(6) bond length is 2.07 Å. The Zn(2)-O(9) bond length is 1.91 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-50°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(7) bond length is 1.56 Å. The P(1)-O(8) bond length is 1.59 Å. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and  a cornercorner with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-46°. The P(2)-O(3) bond length is 1.55 Å. The P(2)-O(4) bond length is 1.54 Å. The P(2)-O(5) bond length is 1.59 Å. The P(2)-O(6) bond length is 1.57 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(2), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one Zn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(2), one Zn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(2), one Zn(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a trigonal pyramidal geometry to one Li(1), one Ti(1), one Ti(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Zn(1) atom.