Li2MnCu(PO4)2 is Hausmannite-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cu(1)O6 pentagonal pyramids, and edges with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-69°. In the second Li site, Li(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with four equivalent Cu(1)O6 pentagonal pyramids, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent P(2)O4 tetrahedra. Mn(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Cu(1)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-69°. Cu(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted CuO6 pentagonal pyramids that share corners with four equivalent Li(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-71°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  a cornercorner with one Cu(1)O6 pentagonal pyramid, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one Cu(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 51-58°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Cu(1)O6 pentagonal pyramids,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Cu(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Mn(1), 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(2), one Cu(1), and one P(2) atom.
Li2MnCu(PO4)2 is Hausmannite-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cu(1)O6 pentagonal pyramids, and edges with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-69°. Both Li(1)-O(1) bond lengths are 2.13 Å. Both Li(1)-O(2) bond lengths are 2.29 Å. Both Li(1)-O(3) bond lengths are 2.15 Å. In the second Li site, Li(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with four equivalent Cu(1)O6 pentagonal pyramids, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent P(2)O4 tetrahedra. Both Li(2)-O(4) bond lengths are 2.19 Å. Both Li(2)-O(5) bond lengths are 2.15 Å. Both Li(2)-O(6) bond lengths are 2.19 Å. Mn(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Cu(1)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-69°. The Mn(1)-O(1) bond length is 2.14 Å. The Mn(1)-O(5) bond length is 2.29 Å. Both Mn(1)-O(3) bond lengths are 2.11 Å. Both Mn(1)-O(4) bond lengths are 2.25 Å. Cu(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted CuO6 pentagonal pyramids that share corners with four equivalent Li(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-71°. The Cu(1)-O(2) bond length is 2.05 Å. The Cu(1)-O(6) bond length is 2.00 Å. Both Cu(1)-O(3) bond lengths are 2.41 Å. Both Cu(1)-O(4) bond lengths are 2.08 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  a cornercorner with one Cu(1)O6 pentagonal pyramid, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one Cu(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 51-58°. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(2) bond length is 1.56 Å. Both P(1)-O(3) bond lengths are 1.56 Å. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Cu(1)O6 pentagonal pyramids,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. The P(2)-O(5) bond length is 1.53 Å. The P(2)-O(6) bond length is 1.57 Å. Both P(2)-O(4) bond lengths are 1.58 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Cu(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Mn(1), 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(2), one Cu(1), and one P(2) atom.