NaLiTiAl(PO4)3 crystallizes in the monoclinic C2 space group. Na(1) is bonded in a distorted hexagonal planar geometry to one O(10), one O(11), one O(3), one O(5), one O(7), and one O(8) atom. Li(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(6), one O(8), and two equivalent O(10) atoms. Ti(1) is bonded to one O(11), one O(12), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. Al(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(6), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-36°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-35°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-37°. In the fourth P site, P(4) is bonded to two equivalent O(11) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-34°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Al(1), and one P(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Li(1), one Al(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Al(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Li(1), one Al(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the tenth O site, O(10) is bonded to one Na(1), two equivalent Li(1), one Al(1), and one P(3) atom to form distorted corner-sharing ONaLi2AlP trigonal bipyramids. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom.
NaLiTiAl(PO4)3 crystallizes in the monoclinic C2 space group. Na(1) is bonded in a distorted hexagonal planar geometry to one O(10), one O(11), one O(3), one O(5), one O(7), and one O(8) atom. The Na(1)-O(10) bond length is 2.53 Å. The Na(1)-O(11) bond length is 2.46 Å. The Na(1)-O(3) bond length is 2.42 Å. The Na(1)-O(5) bond length is 2.38 Å. The Na(1)-O(7) bond length is 2.44 Å. The Na(1)-O(8) bond length is 2.44 Å. Li(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(6), one O(8), and two equivalent O(10) atoms. The Li(1)-O(2) bond length is 2.54 Å. The Li(1)-O(3) bond length is 2.30 Å. The Li(1)-O(6) bond length is 2.46 Å. The Li(1)-O(8) bond length is 2.07 Å. There is one shorter (2.16 Å) and one longer (2.38 Å) Li(1)-O(10) bond length. Ti(1) is bonded to one O(11), one O(12), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Ti(1)-O(11) bond length is 1.96 Å. The Ti(1)-O(12) bond length is 1.94 Å. The Ti(1)-O(4) bond length is 1.95 Å. The Ti(1)-O(5) bond length is 1.94 Å. The Ti(1)-O(7) bond length is 1.95 Å. The Ti(1)-O(9) bond length is 1.96 Å. Al(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(6), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Al(1)-O(1) bond length is 1.82 Å. The Al(1)-O(10) bond length is 2.01 Å. The Al(1)-O(2) bond length is 1.87 Å. The Al(1)-O(3) bond length is 1.97 Å. The Al(1)-O(6) bond length is 1.87 Å. The Al(1)-O(8) bond length is 1.95 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-36°. Both P(1)-O(3) bond lengths are 1.55 Å. Both P(1)-O(4) bond lengths are 1.55 Å. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-35°. The P(2)-O(1) bond length is 1.52 Å. The P(2)-O(5) bond length is 1.55 Å. The P(2)-O(6) bond length is 1.54 Å. The P(2)-O(7) bond length is 1.55 Å. In the third P site, P(3) is bonded to one O(10), one O(12), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-37°. The P(3)-O(10) bond length is 1.56 Å. The P(3)-O(12) bond length is 1.54 Å. The P(3)-O(8) bond length is 1.55 Å. The P(3)-O(9) bond length is 1.53 Å. In the fourth P site, P(4) is bonded to two equivalent O(11) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-34°. Both P(4)-O(11) bond lengths are 1.55 Å. Both P(4)-O(2) bond lengths are 1.54 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Al(1), and one P(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Li(1), one Al(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Al(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Li(1), one Al(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the tenth O site, O(10) is bonded to one Na(1), two equivalent Li(1), one Al(1), and one P(3) atom to form distorted corner-sharing ONaLi2AlP trigonal bipyramids. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom.