Li4Mn3Sb(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 Mn(2)O6 octahedra, corners with two equivalent Mn(3)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 P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-69°. 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,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(3)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 59-70°. There are three inequivalent Mn sites. In the first Mn site, 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 Mn(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(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 59-70°. In the second Mn site, Mn(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra,  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 57-69°. In the third Mn site, Mn(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted MnO6 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 53-73°. Sb(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(9), and two equivalent O(11) atoms. 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 Mn(3)O6 pentagonal pyramid, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one Mn(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 49-57°. 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, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 pentagonal pyramid, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. 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,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(3)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 56-57°. 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,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Sb(1), 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 Mn(1), one Mn(3), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Mn(2), and one P(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), 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 Mn(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mn(2), 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 Mn(1), one Mn(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sb(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Mn(3), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), one Sb(1), 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.
Li4Mn3Sb(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 Mn(2)O6 octahedra, corners with two equivalent Mn(3)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 P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-69°. The Li(1)-O(4) bond length is 2.32 Å. The Li(1)-O(5) bond length is 2.14 Å. The Li(1)-O(6) bond length is 2.14 Å. The Li(1)-O(7) bond length is 2.18 Å. The Li(1)-O(8) bond length is 2.17 Å. The Li(1)-O(9) bond length is 2.22 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,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(3)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 59-70°. The Li(2)-O(1) bond length is 2.16 Å. The Li(2)-O(10) bond length is 2.29 Å. The Li(2)-O(11) bond length is 2.21 Å. The Li(2)-O(12) bond length is 2.26 Å. The Li(2)-O(2) bond length is 2.27 Å. The Li(2)-O(3) bond length is 2.29 Å. There are three inequivalent Mn sites. In the first Mn site, 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 Mn(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(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 59-70°. The Mn(1)-O(12) bond length is 2.16 Å. The Mn(1)-O(4) bond length is 2.20 Å. Both Mn(1)-O(2) bond lengths are 2.23 Å. Both Mn(1)-O(8) bond lengths are 2.31 Å. In the second Mn site, Mn(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra,  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 57-69°. The Mn(2)-O(3) bond length is 2.45 Å. The Mn(2)-O(7) bond length is 2.18 Å. Both Mn(2)-O(11) bond lengths are 2.35 Å. Both Mn(2)-O(5) bond lengths are 2.17 Å. In the third Mn site, Mn(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted MnO6 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 53-73°. The Mn(3)-O(10) bond length is 2.26 Å. The Mn(3)-O(6) bond length is 2.14 Å. Both Mn(3)-O(2) bond lengths are 2.32 Å. Both Mn(3)-O(8) bond lengths are 2.22 Å. Sb(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(9), and two equivalent O(11) atoms. The Sb(1)-O(1) bond length is 2.32 Å. The Sb(1)-O(9) bond length is 2.44 Å. Both Sb(1)-O(11) bond lengths are 2.22 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 Mn(3)O6 pentagonal pyramid, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one Mn(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 49-57°. The P(1)-O(1) bond length is 1.57 Å. The P(1)-O(10) bond length is 1.54 Å. Both P(1)-O(2) bond lengths are 1.57 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, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 pentagonal pyramid, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. The P(2)-O(6) bond length is 1.56 Å. The P(2)-O(9) bond length is 1.56 Å. Both P(2)-O(5) bond lengths are 1.57 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,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(3)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 56-57°. 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,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. The P(4)-O(12) bond length is 1.55 Å. The P(4)-O(3) bond length is 1.54 Å. Both P(4)-O(11) bond lengths are 1.57 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Sb(1), 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 Mn(1), one Mn(3), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Mn(2), and one P(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), 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 Mn(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mn(2), 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 Mn(1), one Mn(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sb(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Mn(3), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), one Sb(1), 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.