Li2MnPHO5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), and two equivalent O(4) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent P(1)O4 tetrahedra, corners with three equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. Mn(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. H(1) is bonded in a single-bond geometry to one O(1) and one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Mn(1), and one H(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mn(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), and one P(1) atom to form distorted corner-sharing OLi2MnP trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(2), two equivalent Li(1), and one P(1) atom. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(2), and one P(1) atom to form distorted OLi3P trigonal pyramids that share corners with two equivalent O(5)Li3P trigonal pyramids and corners with four equivalent O(3)Li2MnP trigonal pyramids.
Li2MnPHO5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), and two equivalent O(4) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The Li(1)-O(1) bond length is 2.20 Å. The Li(1)-O(3) bond length is 2.37 Å. The Li(1)-O(5) bond length is 2.16 Å. Both Li(1)-O(4) bond lengths are 2.17 Å. In the second Li site, Li(2) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent P(1)O4 tetrahedra, corners with three equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The Li(2)-O(3) bond length is 2.01 Å. The Li(2)-O(4) bond length is 1.95 Å. There is one shorter (2.14 Å) and one longer (2.17 Å) Li(2)-O(5) bond length. Mn(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. The Mn(1)-O(3) bond length is 2.16 Å. There is one shorter (2.08 Å) and one longer (2.09 Å) Mn(1)-O(1) bond length. There is one shorter (2.10 Å) and one longer (2.46 Å) Mn(1)-O(2) bond length. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The P(1)-O(2) bond length is 1.58 Å. The P(1)-O(3) bond length is 1.58 Å. The P(1)-O(4) bond length is 1.55 Å. The P(1)-O(5) bond length is 1.54 Å. H(1) is bonded in a single-bond geometry to one O(1) and one O(2) atom. The H(1)-O(1) bond length is 0.99 Å. The H(1)-O(2) bond length is 1.70 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Mn(1), and one H(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mn(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), and one P(1) atom to form distorted corner-sharing OLi2MnP trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(2), two equivalent Li(1), and one P(1) atom. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(2), and one P(1) atom to form distorted OLi3P trigonal pyramids that share corners with two equivalent O(5)Li3P trigonal pyramids and corners with four equivalent O(3)Li2MnP trigonal pyramids.