Li3MnCO3PO4 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(7) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. Mn(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. C(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(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O5 trigonal bipyramids. 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 Li(3), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Mn(1), and one C(1) atom to form distorted edge-sharing OLi2MnC trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), and one C(1) atom to form distorted edge-sharing OLi2MnC trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom.
Li3MnCO3PO4 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(7) atom. The Li(1)-O(2) bond length is 1.96 Å. The Li(1)-O(3) bond length is 1.96 Å. The Li(1)-O(5) bond length is 2.23 Å. The Li(1)-O(7) bond length is 2.01 Å. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra. The Li(2)-O(1) bond length is 1.99 Å. The Li(2)-O(2) bond length is 2.29 Å. The Li(2)-O(3) bond length is 1.95 Å. The Li(2)-O(4) bond length is 2.11 Å. The Li(2)-O(7) bond length is 2.20 Å. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. The Li(3)-O(1) bond length is 1.88 Å. The Li(3)-O(4) bond length is 1.96 Å. The Li(3)-O(5) bond length is 2.08 Å. The Li(3)-O(6) bond length is 2.09 Å. Mn(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. The Mn(1)-O(2) bond length is 2.25 Å. The Mn(1)-O(3) bond length is 2.31 Å. The Mn(1)-O(4) bond length is 2.25 Å. The Mn(1)-O(5) bond length is 2.28 Å. The Mn(1)-O(6) bond length is 2.14 Å. The Mn(1)-O(7) bond length is 2.23 Å. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(2) bond length is 1.30 Å. The C(1)-O(3) bond length is 1.31 Å. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O5 trigonal bipyramids. The P(1)-O(4) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.56 Å. The P(1)-O(6) bond length is 1.56 Å. The P(1)-O(7) bond length is 1.56 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 Li(3), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Mn(1), and one C(1) atom to form distorted edge-sharing OLi2MnC trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), and one C(1) atom to form distorted edge-sharing OLi2MnC trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom.