LiCr2P5O16 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(16), one O(2), one O(3), and one O(4) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(13), one O(15), one O(16), one O(2), and one O(5) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-50°. In the second P site, P(2) is bonded to one O(11), one O(3), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(12), and one O(13) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-46°. In the fourth P site, P(4) is bonded to one O(12), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the fifth P site, P(5) is bonded to one O(1), one O(14), one O(15), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-52°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Cr(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(4) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(4) atom.
LiCr2P5O16 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(16), one O(2), one O(3), and one O(4) atom. The Li(1)-O(1) bond length is 2.38 Å. The Li(1)-O(16) bond length is 2.24 Å. The Li(1)-O(2) bond length is 2.55 Å. The Li(1)-O(3) bond length is 2.18 Å. The Li(1)-O(4) bond length is 2.11 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(13), one O(15), one O(16), one O(2), and one O(5) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. The Cr(1)-O(1) bond length is 2.01 Å. The Cr(1)-O(13) bond length is 2.00 Å. The Cr(1)-O(15) bond length is 1.98 Å. The Cr(1)-O(16) bond length is 2.01 Å. The Cr(1)-O(2) bond length is 2.03 Å. The Cr(1)-O(5) bond length is 1.96 Å. In the second Cr site, Cr(2) is bonded to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Cr(2)-O(10) bond length is 1.99 Å. The Cr(2)-O(3) bond length is 2.07 Å. The Cr(2)-O(4) bond length is 2.04 Å. The Cr(2)-O(6) bond length is 1.93 Å. The Cr(2)-O(7) bond length is 1.96 Å. The Cr(2)-O(8) bond length is 1.99 Å. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-50°. The P(1)-O(5) bond length is 1.54 Å. The P(1)-O(6) bond length is 1.52 Å. The P(1)-O(7) bond length is 1.52 Å. The P(1)-O(9) bond length is 1.64 Å. In the second P site, P(2) is bonded to one O(11), one O(3), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. The P(2)-O(11) bond length is 1.60 Å. The P(2)-O(3) bond length is 1.53 Å. The P(2)-O(8) bond length is 1.51 Å. The P(2)-O(9) bond length is 1.58 Å. In the third P site, P(3) is bonded to one O(10), one O(11), one O(12), and one O(13) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-46°. The P(3)-O(10) bond length is 1.50 Å. The P(3)-O(11) bond length is 1.60 Å. The P(3)-O(12) bond length is 1.62 Å. The P(3)-O(13) bond length is 1.50 Å. In the fourth P site, P(4) is bonded to one O(12), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-52°. The P(4)-O(12) bond length is 1.60 Å. The P(4)-O(14) bond length is 1.59 Å. The P(4)-O(16) bond length is 1.52 Å. The P(4)-O(2) bond length is 1.51 Å. In the fifth P site, P(5) is bonded to one O(1), one O(14), one O(15), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-52°. The P(5)-O(1) bond length is 1.53 Å. The P(5)-O(14) bond length is 1.64 Å. The P(5)-O(15) bond length is 1.51 Å. The P(5)-O(4) bond length is 1.55 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Cr(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(4) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(4) atom.