Li2MnBPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. Mn(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-50°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one B(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to two equivalent Li(1), one Mn(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom.
Li2MnBPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. The Li(1)-O(1) bond length is 1.93 Å. The Li(1)-O(2) bond length is 2.08 Å. The Li(1)-O(3) bond length is 2.10 Å. The Li(1)-O(4) bond length is 2.41 Å. The Li(1)-O(5) bond length is 2.36 Å. Mn(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. The Mn(1)-O(2) bond length is 1.93 Å. The Mn(1)-O(3) bond length is 1.93 Å. The Mn(1)-O(5) bond length is 2.00 Å. The Mn(1)-O(6) bond length is 1.96 Å. Both Mn(1)-O(4) bond lengths are 1.91 Å. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The B(1)-O(1) bond length is 1.32 Å. The B(1)-O(2) bond length is 1.41 Å. The B(1)-O(3) bond length is 1.42 Å. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-50°. The P(1)-O(5) bond length is 1.54 Å. The P(1)-O(6) bond length is 1.55 Å. Both P(1)-O(4) bond lengths are 1.54 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one B(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to two equivalent Li(1), one Mn(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom.