Li4Cr3Mn(PO4)4 is Hausmannite-derived structured and crystallizes in the monoclinic Pm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Cr(1)O6 pentagonal pyramids, corners with two equivalent Cr(2)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one Cr(3)O6 pentagonal pyramid,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Cr(3)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 pentagonal pyramid,  an edgeedge with one Cr(2)O6 pentagonal pyramid,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-71°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted CrO6 pentagonal pyramids that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Cr(3)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-73°. In the second Cr site, Cr(2) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted CrO6 pentagonal pyramids that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-73°. In the third Cr site, Cr(3) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form distorted CrO6 pentagonal pyramids that share corners with four equivalent Li(2)O6 octahedra, corners with four equivalent Cr(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-74°. Mn(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, corners with four equivalent Cr(2)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-71°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Cr(2)O6 pentagonal pyramid,  a cornercorner with one Cr(3)O6 pentagonal pyramid, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one Cr(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 49-59°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Cr(2)O6 pentagonal pyramid,  a cornercorner with one Cr(3)O6 pentagonal pyramid, corners with two equivalent Cr(1)O6 pentagonal pyramids, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one Cr(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 58°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Cr(1)O6 pentagonal pyramid, corners with two equivalent Cr(2)O6 pentagonal pyramids,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one Cr(1)O6 pentagonal pyramid, corners with two equivalent Cr(3)O6 pentagonal pyramids, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one Cr(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 54-57°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Cr(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(2), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to two equivalent Li(2), one Cr(1), and one P(4) atom. In the fourth O site, O(4) is bonded to two equivalent Li(1), one Mn(1), and one P(3) atom to form distorted corner-sharing OLi2MnP trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(1), one Cr(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Cr(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(2), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded to two equivalent Li(1), one Cr(3), and one P(2) atom to form distorted corner-sharing OLi2CrP trigonal pyramids. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Cr(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Cr(3), and one P(4) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Mn(1), and one P(4) atom.
Li4Cr3Mn(PO4)4 is Hausmannite-derived structured and crystallizes in the monoclinic Pm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Cr(1)O6 pentagonal pyramids, corners with two equivalent Cr(2)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one Cr(3)O6 pentagonal pyramid,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The Li(1)-O(4) bond length is 2.22 Å. The Li(1)-O(5) bond length is 2.16 Å. The Li(1)-O(6) bond length is 2.22 Å. The Li(1)-O(7) bond length is 2.19 Å. The Li(1)-O(8) bond length is 2.21 Å. The Li(1)-O(9) bond length is 2.25 Å. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Cr(3)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 pentagonal pyramid,  an edgeedge with one Cr(2)O6 pentagonal pyramid,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-71°. The Li(2)-O(1) bond length is 2.22 Å. The Li(2)-O(10) bond length is 2.29 Å. The Li(2)-O(11) bond length is 2.18 Å. The Li(2)-O(12) bond length is 2.16 Å. The Li(2)-O(2) bond length is 2.16 Å. The Li(2)-O(3) bond length is 2.26 Å. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted CrO6 pentagonal pyramids that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Cr(3)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-73°. The Cr(1)-O(3) bond length is 2.13 Å. The Cr(1)-O(7) bond length is 2.08 Å. Both Cr(1)-O(11) bond lengths are 2.39 Å. Both Cr(1)-O(5) bond lengths are 2.14 Å. In the second Cr site, Cr(2) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted CrO6 pentagonal pyramids that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-73°. The Cr(2)-O(10) bond length is 2.12 Å. The Cr(2)-O(6) bond length is 2.06 Å. Both Cr(2)-O(2) bond lengths are 2.42 Å. Both Cr(2)-O(8) bond lengths are 2.16 Å. In the third Cr site, Cr(3) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form distorted CrO6 pentagonal pyramids that share corners with four equivalent Li(2)O6 octahedra, corners with four equivalent Cr(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-74°. The Cr(3)-O(1) bond length is 2.08 Å. The Cr(3)-O(9) bond length is 2.15 Å. Both Cr(3)-O(11) bond lengths are 2.13 Å. Both Cr(3)-O(5) bond lengths are 2.40 Å. Mn(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, corners with four equivalent Cr(2)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-71°. The Mn(1)-O(12) bond length is 2.13 Å. The Mn(1)-O(4) bond length is 2.24 Å. Both Mn(1)-O(2) bond lengths are 2.18 Å. Both Mn(1)-O(8) bond lengths are 2.30 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Cr(2)O6 pentagonal pyramid,  a cornercorner with one Cr(3)O6 pentagonal pyramid, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one Cr(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 49-59°. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(10) bond length is 1.55 Å. Both P(1)-O(2) bond lengths are 1.56 Å. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Cr(2)O6 pentagonal pyramid,  a cornercorner with one Cr(3)O6 pentagonal pyramid, corners with two equivalent Cr(1)O6 pentagonal pyramids, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one Cr(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 58°. The P(2)-O(6) bond length is 1.57 Å. The P(2)-O(9) bond length is 1.55 Å. Both P(2)-O(5) bond lengths are 1.56 Å. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Cr(1)O6 pentagonal pyramid, corners with two equivalent Cr(2)O6 pentagonal pyramids,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. The P(3)-O(4) bond length is 1.54 Å. The P(3)-O(7) bond length is 1.56 Å. Both P(3)-O(8) bond lengths are 1.57 Å. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one Cr(1)O6 pentagonal pyramid, corners with two equivalent Cr(3)O6 pentagonal pyramids, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one Cr(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 54-57°. The P(4)-O(12) bond length is 1.56 Å. The P(4)-O(3) bond length is 1.55 Å. Both P(4)-O(11) bond lengths are 1.56 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Cr(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(2), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to two equivalent Li(2), one Cr(1), and one P(4) atom. In the fourth O site, O(4) is bonded to two equivalent Li(1), one Mn(1), and one P(3) atom to form distorted corner-sharing OLi2MnP trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(1), one Cr(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Cr(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(2), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded to two equivalent Li(1), one Cr(3), and one P(2) atom to form distorted corner-sharing OLi2CrP trigonal pyramids. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Cr(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Cr(3), and one P(4) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Mn(1), and one P(4) atom.