Li3Mn2P4HO14 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(6), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to two equivalent O(1) and two equivalent O(7) atoms. Mn(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(7) atom. In the second P site, P(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(6) atom. H(1) is bonded in a linear geometry to two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), 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 Mn(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one P(1) and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Li(2) and one P(1) atom.
Li3Mn2P4HO14 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(6), and two equivalent O(2) atoms. The Li(1)-O(3) bond length is 1.56 Å. The Li(1)-O(6) bond length is 2.07 Å. Both Li(1)-O(2) bond lengths are 2.25 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to two equivalent O(1) and two equivalent O(7) atoms. Both Li(2)-O(1) bond lengths are 2.54 Å. Both Li(2)-O(7) bond lengths are 2.16 Å. Mn(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(6) atom. The Mn(1)-O(1) bond length is 2.38 Å. The Mn(1)-O(2) bond length is 2.63 Å. The Mn(1)-O(4) bond length is 2.12 Å. The Mn(1)-O(6) bond length is 1.60 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(7) atom. The P(1)-O(1) bond length is 1.52 Å. The P(1)-O(4) bond length is 1.42 Å. The P(1)-O(5) bond length is 2.21 Å. The P(1)-O(7) bond length is 1.71 Å. In the second P site, P(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(6) atom. The P(2)-O(2) bond length is 1.57 Å. The P(2)-O(3) bond length is 1.10 Å. The P(2)-O(6) bond length is 1.78 Å. H(1) is bonded in a linear geometry to two equivalent O(5) atoms. Both H(1)-O(5) bond lengths are 1.12 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), 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 Mn(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one P(1) and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Li(2) and one P(1) atom.