LiCr4(PO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(5) and two equivalent O(6) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the third Cr site, Cr(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(5), and one O(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(2), one Cr(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(3), and one P(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Cr(1), one Cr(2), and one P(1) atom to form distorted edge-sharing OLiCr2P trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cr(1), and one P(1) atom.
LiCr4(PO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(5) and two equivalent O(6) atoms. Both Li(1)-O(5) bond lengths are 2.44 Å. Both Li(1)-O(6) bond lengths are 2.35 Å. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. The Cr(1)-O(1) bond length is 2.08 Å. The Cr(1)-O(2) bond length is 2.05 Å. The Cr(1)-O(4) bond length is 2.03 Å. The Cr(1)-O(5) bond length is 2.39 Å. The Cr(1)-O(6) bond length is 2.08 Å. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Both Cr(2)-O(2) bond lengths are 2.64 Å. Both Cr(2)-O(3) bond lengths are 2.15 Å. Both Cr(2)-O(5) bond lengths are 2.06 Å. In the third Cr site, Cr(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. Both Cr(3)-O(3) bond lengths are 2.04 Å. Both Cr(3)-O(4) bond lengths are 2.02 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(5), and one O(6) atom. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.60 Å. The P(1)-O(5) bond length is 1.56 Å. The P(1)-O(6) bond length is 1.55 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(4) atoms. Both P(2)-O(2) bond lengths are 1.52 Å. Both P(2)-O(4) bond lengths are 1.59 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(2), one Cr(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(3), and one P(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Cr(1), one Cr(2), and one P(1) atom to form distorted edge-sharing OLiCr2P trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cr(1), and one P(1) atom.