KLiMnP3HO10 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(10), one O(15), one O(18), one O(2), one O(3), one O(8), and one O(9) atom. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(18), one O(19), and one O(6) atom. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(11), one O(14), and one O(5) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(16), one O(19), one O(20), and one O(5) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(15), one O(18), one O(3), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(14), one O(16), one O(5), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the second P site, P(2) is bonded to one O(19), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the third P site, P(3) is bonded to one O(11), one O(20), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the fourth P site, P(4) is bonded to one O(1), one O(10), one O(13), and one O(17) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-63°. In the fifth P site, P(5) is bonded to one O(14), one O(15), one O(17), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the sixth P site, P(6) is bonded to one O(12), one O(16), one O(18), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-56°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(19) and one O(2) atom. In the second H site, H(2) is bonded in a linear geometry to one O(12) and one O(9) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one P(1), and one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(5), and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one K(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(2), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(1), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one K(1), one P(1), and one H(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one K(1), one Mn(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one K(2), one Li(1), one Mn(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(6), and one H(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Mn(2), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Li(2), one Mn(2), and one P(6) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one P(4) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 1-coordinate geometry to one K(1), one K(2), one Mn(1), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one K(2), one Li(2), one P(2), and one H(1) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(2), one P(3), and one P(6) atom.
KLiMnP3HO10 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(10), one O(15), one O(18), one O(2), one O(3), one O(8), and one O(9) atom. The K(1)-O(10) bond length is 2.77 Å. The K(1)-O(15) bond length is 2.97 Å. The K(1)-O(18) bond length is 3.29 Å. The K(1)-O(2) bond length is 3.14 Å. The K(1)-O(3) bond length is 2.79 Å. The K(1)-O(8) bond length is 3.23 Å. The K(1)-O(9) bond length is 2.77 Å. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(18), one O(19), and one O(6) atom. The K(2)-O(11) bond length is 3.00 Å. The K(2)-O(12) bond length is 2.77 Å. The K(2)-O(18) bond length is 2.96 Å. The K(2)-O(19) bond length is 2.93 Å. The K(2)-O(6) bond length is 3.17 Å. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(11), one O(14), and one O(5) atom. The Li(1)-O(11) bond length is 1.92 Å. The Li(1)-O(14) bond length is 1.88 Å. The Li(1)-O(5) bond length is 2.00 Å. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(16), one O(19), one O(20), and one O(5) atom. The Li(2)-O(1) bond length is 2.30 Å. The Li(2)-O(16) bond length is 2.60 Å. The Li(2)-O(19) bond length is 2.20 Å. The Li(2)-O(20) bond length is 2.13 Å. The Li(2)-O(5) bond length is 2.04 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(15), one O(18), one O(3), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The Mn(1)-O(13) bond length is 2.16 Å. The Mn(1)-O(15) bond length is 2.23 Å. The Mn(1)-O(18) bond length is 2.28 Å. The Mn(1)-O(3) bond length is 2.26 Å. The Mn(1)-O(6) bond length is 2.17 Å. The Mn(1)-O(8) bond length is 2.18 Å. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(14), one O(16), one O(5), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The Mn(2)-O(10) bond length is 2.05 Å. The Mn(2)-O(11) bond length is 2.23 Å. The Mn(2)-O(14) bond length is 2.42 Å. The Mn(2)-O(16) bond length is 2.07 Å. The Mn(2)-O(5) bond length is 2.24 Å. The Mn(2)-O(7) bond length is 2.09 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-59°. The P(1)-O(1) bond length is 1.68 Å. The P(1)-O(3) bond length is 1.52 Å. The P(1)-O(5) bond length is 1.56 Å. The P(1)-O(9) bond length is 1.52 Å. In the second P site, P(2) is bonded to one O(19), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-58°. The P(2)-O(19) bond length is 1.55 Å. The P(2)-O(4) bond length is 1.68 Å. The P(2)-O(6) bond length is 1.51 Å. The P(2)-O(7) bond length is 1.53 Å. In the third P site, P(3) is bonded to one O(11), one O(20), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. The P(3)-O(11) bond length is 1.52 Å. The P(3)-O(20) bond length is 1.62 Å. The P(3)-O(4) bond length is 1.58 Å. The P(3)-O(8) bond length is 1.49 Å. In the fourth P site, P(4) is bonded to one O(1), one O(10), one O(13), and one O(17) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-63°. The P(4)-O(1) bond length is 1.61 Å. The P(4)-O(10) bond length is 1.51 Å. The P(4)-O(13) bond length is 1.50 Å. The P(4)-O(17) bond length is 1.60 Å. In the fifth P site, P(5) is bonded to one O(14), one O(15), one O(17), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-57°. The P(5)-O(14) bond length is 1.53 Å. The P(5)-O(15) bond length is 1.51 Å. The P(5)-O(17) bond length is 1.63 Å. The P(5)-O(2) bond length is 1.59 Å. In the sixth P site, P(6) is bonded to one O(12), one O(16), one O(18), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-56°. The P(6)-O(12) bond length is 1.58 Å. The P(6)-O(16) bond length is 1.51 Å. The P(6)-O(18) bond length is 1.50 Å. The P(6)-O(20) bond length is 1.65 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(19) and one O(2) atom. The H(1)-O(19) bond length is 1.54 Å. The H(1)-O(2) bond length is 1.04 Å. In the second H site, H(2) is bonded in a linear geometry to one O(12) and one O(9) atom. The H(2)-O(12) bond length is 1.03 Å. The H(2)-O(9) bond length is 1.61 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one P(1), and one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(5), and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one K(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(2), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(1), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one K(1), one P(1), and one H(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one K(1), one Mn(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one K(2), one Li(1), one Mn(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(6), and one H(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Mn(2), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Li(2), one Mn(2), and one P(6) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one P(4) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 1-coordinate geometry to one K(1), one K(2), one Mn(1), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one K(2), one Li(2), one P(2), and one H(1) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(2), one P(3), and one P(6) atom.