Li2CrP4O13 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(3), one O(6), and one O(9) atom. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to one O(8) and two equivalent O(13) atoms. Cr(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. In the second P site, P(2) is bonded to one O(10), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)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 50°. In the third P site, P(3) is bonded to one O(12), one O(13), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)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 are 46°. In the fourth P site, P(4) is bonded to one O(1), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-50°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one P(3) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Cr(1), and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Li(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to two equivalent Li(2) and one P(3) atom.
Li2CrP4O13 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(3), one O(6), and one O(9) atom. The Li(1)-O(10) bond length is 2.53 Å. The Li(1)-O(3) bond length is 1.90 Å. The Li(1)-O(6) bond length is 2.62 Å. The Li(1)-O(9) bond length is 1.97 Å. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to one O(8) and two equivalent O(13) atoms. The Li(2)-O(8) bond length is 1.90 Å. There is one shorter (1.99 Å) and one longer (2.00 Å) Li(2)-O(13) bond length. Cr(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The Cr(1)-O(1) bond length is 1.91 Å. The Cr(1)-O(10) bond length is 2.00 Å. The Cr(1)-O(11) bond length is 1.94 Å. The Cr(1)-O(12) bond length is 2.01 Å. The Cr(1)-O(5) bond length is 1.95 Å. The Cr(1)-O(6) bond length is 2.01 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. The P(1)-O(11) bond length is 1.57 Å. The P(1)-O(2) bond length is 1.64 Å. The P(1)-O(5) bond length is 1.53 Å. The P(1)-O(8) bond length is 1.49 Å. In the second P site, P(2) is bonded to one O(10), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)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 50°. The P(2)-O(10) bond length is 1.53 Å. The P(2)-O(2) bond length is 1.60 Å. The P(2)-O(3) bond length is 1.48 Å. The P(2)-O(7) bond length is 1.62 Å. In the third P site, P(3) is bonded to one O(12), one O(13), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)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 are 46°. The P(3)-O(12) bond length is 1.52 Å. The P(3)-O(13) bond length is 1.50 Å. The P(3)-O(4) bond length is 1.60 Å. The P(3)-O(7) bond length is 1.60 Å. In the fourth P site, P(4) is bonded to one O(1), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-50°. The P(4)-O(1) bond length is 1.56 Å. The P(4)-O(4) bond length is 1.63 Å. The P(4)-O(6) bond length is 1.54 Å. The P(4)-O(9) bond length is 1.49 Å. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one P(3) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Cr(1), and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Li(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to two equivalent Li(2) and one P(3) atom.