Li2MnPO4F is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(7), one O(8), and one F(2) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(8), and one F(1) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(7), one F(1), and one F(2) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(6), and one F(1) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), one O(5), one O(6), one O(8), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-65°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(7), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-65°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4F2 octahedra and corners with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4F2 octahedra and corners with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 27-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Mn(2), and one P(2) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one F(1)Li3Mn2 square pyramid,  a cornercorner with one O(8)Li2MnP tetrahedra,  an edgeedge with one F(1)Li3Mn2 square pyramid, and  an edgeedge with one F(2)Li2Mn2 trigonal pyramid. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(4), one Mn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Mn(1), and one P(1) atom to form distorted OLi2MnP tetrahedra that share corners with two equivalent F(1)Li3Mn2 square pyramids,  a cornercorner with one O(2)Li2MnP trigonal pyramid, and corners with two equivalent F(2)Li2Mn2 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Li(3), one Li(4), one Mn(1), and one Mn(2) atom to form distorted FLi3Mn2 square pyramids that share corners with two equivalent O(8)Li2MnP tetrahedra,  a cornercorner with one O(2)Li2MnP trigonal pyramid, corners with three equivalent F(2)Li2Mn2 trigonal pyramids, and  an edgeedge with one O(2)Li2MnP trigonal pyramid. In the second F site, F(2) is bonded to one Li(1), one Li(3), one Mn(1), and one Mn(2) atom to form distorted FLi2Mn2 trigonal pyramids that share corners with three equivalent F(1)Li3Mn2 square pyramids, corners with two equivalent O(8)Li2MnP tetrahedra, and  an edgeedge with one O(2)Li2MnP trigonal pyramid.
Li2MnPO4F is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(7), one O(8), and one F(2) atom. The Li(1)-O(4) bond length is 2.06 Å. The Li(1)-O(5) bond length is 2.09 Å. The Li(1)-O(7) bond length is 2.51 Å. The Li(1)-O(8) bond length is 2.01 Å. The Li(1)-F(2) bond length is 1.90 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(8), and one F(1) atom. The Li(2)-O(2) bond length is 2.13 Å. The Li(2)-O(3) bond length is 2.08 Å. The Li(2)-O(5) bond length is 2.32 Å. The Li(2)-O(6) bond length is 2.56 Å. The Li(2)-O(8) bond length is 2.04 Å. The Li(2)-F(1) bond length is 2.06 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(7), one F(1), and one F(2) atom. The Li(3)-O(1) bond length is 2.14 Å. The Li(3)-O(2) bond length is 2.20 Å. The Li(3)-O(3) bond length is 2.42 Å. The Li(3)-O(7) bond length is 2.02 Å. The Li(3)-F(1) bond length is 2.11 Å. The Li(3)-F(2) bond length is 1.90 Å. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(6), and one F(1) atom. The Li(4)-O(1) bond length is 2.05 Å. The Li(4)-O(3) bond length is 2.36 Å. The Li(4)-O(4) bond length is 2.02 Å. The Li(4)-O(6) bond length is 2.11 Å. The Li(4)-F(1) bond length is 1.97 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), one O(5), one O(6), one O(8), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-65°. The Mn(1)-O(4) bond length is 2.18 Å. The Mn(1)-O(5) bond length is 2.16 Å. The Mn(1)-O(6) bond length is 2.17 Å. The Mn(1)-O(8) bond length is 2.18 Å. The Mn(1)-F(1) bond length is 2.29 Å. The Mn(1)-F(2) bond length is 2.14 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(7), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-65°. The Mn(2)-O(1) bond length is 2.17 Å. The Mn(2)-O(2) bond length is 2.16 Å. The Mn(2)-O(3) bond length is 2.22 Å. The Mn(2)-O(7) bond length is 2.15 Å. The Mn(2)-F(1) bond length is 2.27 Å. The Mn(2)-F(2) bond length is 2.13 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4F2 octahedra and corners with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.56 Å. The P(1)-O(7) bond length is 1.55 Å. The P(1)-O(8) bond length is 1.57 Å. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4F2 octahedra and corners with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 27-53°. The P(2)-O(2) bond length is 1.56 Å. The P(2)-O(3) bond length is 1.56 Å. The P(2)-O(4) bond length is 1.56 Å. The P(2)-O(6) bond length is 1.55 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Mn(2), and one P(2) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one F(1)Li3Mn2 square pyramid,  a cornercorner with one O(8)Li2MnP tetrahedra,  an edgeedge with one F(1)Li3Mn2 square pyramid, and  an edgeedge with one F(2)Li2Mn2 trigonal pyramid. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(4), one Mn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Mn(1), and one P(1) atom to form distorted OLi2MnP tetrahedra that share corners with two equivalent F(1)Li3Mn2 square pyramids,  a cornercorner with one O(2)Li2MnP trigonal pyramid, and corners with two equivalent F(2)Li2Mn2 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Li(3), one Li(4), one Mn(1), and one Mn(2) atom to form distorted FLi3Mn2 square pyramids that share corners with two equivalent O(8)Li2MnP tetrahedra,  a cornercorner with one O(2)Li2MnP trigonal pyramid, corners with three equivalent F(2)Li2Mn2 trigonal pyramids, and  an edgeedge with one O(2)Li2MnP trigonal pyramid. In the second F site, F(2) is bonded to one Li(1), one Li(3), one Mn(1), and one Mn(2) atom to form distorted FLi2Mn2 trigonal pyramids that share corners with three equivalent F(1)Li3Mn2 square pyramids, corners with two equivalent O(8)Li2MnP tetrahedra, and  an edgeedge with one O(2)Li2MnP trigonal pyramid.