LiCo(PO3)3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(3), and one O(6) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(14), one O(4), one O(5), and one O(9) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(12), one O(14), one O(5), and one O(9) atom to form CoO6 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(5)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and  an edgeedge with one Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(2), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(16), one O(18), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second P site, P(2) is bonded to one O(15), one O(17), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third P site, P(3) is bonded to one O(14), one O(15), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the fourth P site, P(4) is bonded to one O(13), one O(16), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(2), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-59°. In the sixth P site, P(6) is bonded to one O(1), one O(11), one O(18), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-59°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(1) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Co(2) and one P(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Co(1), one Co(2), and one P(6) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Co(1), one Co(2), and one P(5) atom. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(2), one Co(2), and one P(4) atom to form distorted edge-sharing OLi2CoP tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(2), one Co(1), and one P(3) atom to form distorted edge-sharing OLi2CoP tetrahedra. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one P(2) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one P(1) and one P(6) atom.
LiCo(PO3)3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(3), and one O(6) atom. The Li(1)-O(10) bond length is 2.20 Å. The Li(1)-O(11) bond length is 2.51 Å. The Li(1)-O(13) bond length is 2.38 Å. The Li(1)-O(14) bond length is 2.29 Å. The Li(1)-O(3) bond length is 1.93 Å. The Li(1)-O(6) bond length is 2.19 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(14), one O(4), one O(5), and one O(9) atom. The Li(2)-O(12) bond length is 2.50 Å. The Li(2)-O(13) bond length is 2.28 Å. The Li(2)-O(14) bond length is 2.40 Å. The Li(2)-O(4) bond length is 1.93 Å. The Li(2)-O(5) bond length is 2.19 Å. The Li(2)-O(9) bond length is 2.20 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(12), one O(14), one O(5), and one O(9) atom to form CoO6 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(5)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and  an edgeedge with one Co(2)O6 octahedra. The Co(1)-O(1) bond length is 1.99 Å. The Co(1)-O(11) bond length is 2.17 Å. The Co(1)-O(12) bond length is 2.23 Å. The Co(1)-O(14) bond length is 2.17 Å. The Co(1)-O(5) bond length is 2.16 Å. The Co(1)-O(9) bond length is 2.17 Å. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(2), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. The Co(2)-O(10) bond length is 2.18 Å. The Co(2)-O(11) bond length is 2.23 Å. The Co(2)-O(12) bond length is 2.17 Å. The Co(2)-O(13) bond length is 2.17 Å. The Co(2)-O(2) bond length is 1.99 Å. The Co(2)-O(6) bond length is 2.17 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(16), one O(18), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-55°. The P(1)-O(10) bond length is 1.51 Å. The P(1)-O(16) bond length is 1.60 Å. The P(1)-O(18) bond length is 1.61 Å. The P(1)-O(5) bond length is 1.51 Å. In the second P site, P(2) is bonded to one O(15), one O(17), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-55°. The P(2)-O(15) bond length is 1.60 Å. The P(2)-O(17) bond length is 1.61 Å. The P(2)-O(6) bond length is 1.51 Å. The P(2)-O(9) bond length is 1.51 Å. In the third P site, P(3) is bonded to one O(14), one O(15), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. The P(3)-O(14) bond length is 1.52 Å. The P(3)-O(15) bond length is 1.63 Å. The P(3)-O(3) bond length is 1.48 Å. The P(3)-O(7) bond length is 1.61 Å. In the fourth P site, P(4) is bonded to one O(13), one O(16), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. The P(4)-O(13) bond length is 1.52 Å. The P(4)-O(16) bond length is 1.63 Å. The P(4)-O(4) bond length is 1.48 Å. The P(4)-O(8) bond length is 1.61 Å. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(2), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-59°. The P(5)-O(12) bond length is 1.53 Å. The P(5)-O(17) bond length is 1.61 Å. The P(5)-O(2) bond length is 1.48 Å. The P(5)-O(7) bond length is 1.58 Å. In the sixth P site, P(6) is bonded to one O(1), one O(11), one O(18), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-59°. The P(6)-O(1) bond length is 1.48 Å. The P(6)-O(11) bond length is 1.53 Å. The P(6)-O(18) bond length is 1.62 Å. The P(6)-O(8) bond length is 1.58 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(1) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Co(2) and one P(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Co(1), one Co(2), and one P(6) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Co(1), one Co(2), and one P(5) atom. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(2), one Co(2), and one P(4) atom to form distorted edge-sharing OLi2CoP tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(2), one Co(1), and one P(3) atom to form distorted edge-sharing OLi2CoP tetrahedra. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one P(2) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one P(1) and one P(6) atom.