LiCr2P5O16 crystallizes in the monoclinic Pc space group. The structure consists of two 7439-93-2 atoms inside a Cr2P5O16 framework. In the Cr2P5O16 framework, there are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(11), one O(16), one O(3), one O(4), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(12), one O(13), one O(14), one O(15), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(16), one O(2), and one O(8) 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(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-57°. In the second P site, P(2) is bonded to one O(15), one O(5), one O(6), and one O(7) 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(3)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the third P site, P(3) is bonded to one O(1), one O(4), one O(6), and one O(8) 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(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 9-62°. In the fourth P site, P(4) is bonded to one O(10), one O(13), one O(2), and one O(3) 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(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-47°. In the fifth P site, P(5) is bonded to one O(11), one O(12), one O(5), 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 37-50°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Cr(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(2) and one P(5) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(5) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom.
LiCr2P5O16 crystallizes in the monoclinic Pc space group. The structure consists of two 7439-93-2 atoms inside a Cr2P5O16 framework. In the Cr2P5O16 framework, there are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(11), one O(16), one O(3), one O(4), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The Cr(1)-O(10) bond length is 2.01 Å. The Cr(1)-O(11) bond length is 1.95 Å. The Cr(1)-O(16) bond length is 2.02 Å. The Cr(1)-O(3) bond length is 2.00 Å. The Cr(1)-O(4) bond length is 2.06 Å. The Cr(1)-O(7) bond length is 2.03 Å. In the second Cr site, Cr(2) is bonded to one O(1), one O(12), one O(13), one O(14), one O(15), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. The Cr(2)-O(1) bond length is 2.08 Å. The Cr(2)-O(12) bond length is 1.99 Å. The Cr(2)-O(13) bond length is 1.98 Å. The Cr(2)-O(14) bond length is 2.00 Å. The Cr(2)-O(15) bond length is 2.05 Å. The Cr(2)-O(9) bond length is 1.96 Å. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(16), one O(2), and one O(8) 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(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-57°. The P(1)-O(14) bond length is 1.50 Å. The P(1)-O(16) bond length is 1.52 Å. The P(1)-O(2) bond length is 1.58 Å. The P(1)-O(8) bond length is 1.63 Å. In the second P site, P(2) is bonded to one O(15), one O(5), one O(6), and one O(7) 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(3)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-52°. The P(2)-O(15) bond length is 1.50 Å. The P(2)-O(5) bond length is 1.59 Å. The P(2)-O(6) bond length is 1.63 Å. The P(2)-O(7) bond length is 1.51 Å. In the third P site, P(3) is bonded to one O(1), one O(4), one O(6), and one O(8) 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(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 9-62°. The P(3)-O(1) bond length is 1.52 Å. The P(3)-O(4) bond length is 1.48 Å. The P(3)-O(6) bond length is 1.62 Å. The P(3)-O(8) bond length is 1.62 Å. In the fourth P site, P(4) is bonded to one O(10), one O(13), one O(2), and one O(3) 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(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-47°. The P(4)-O(10) bond length is 1.53 Å. The P(4)-O(13) bond length is 1.51 Å. The P(4)-O(2) bond length is 1.66 Å. The P(4)-O(3) bond length is 1.53 Å. In the fifth P site, P(5) is bonded to one O(11), one O(12), one O(5), 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 37-50°. The P(5)-O(11) bond length is 1.52 Å. The P(5)-O(12) bond length is 1.52 Å. The P(5)-O(5) bond length is 1.65 Å. The P(5)-O(9) bond length is 1.51 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Cr(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(2) and one P(5) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(5) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom.