K2LiNb2P2(CO7)2 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), and two equivalent O(5) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(14), and one O(8) atom. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(14), one O(2), and one O(3) atom. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form NbO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Nb site, Nb(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(7), and one O(9) atom to form NbO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(14), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(13) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-42°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-45°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Li(1), and one C(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Li(1), one Nb(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one Li(1), one Nb(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one K(1), one Nb(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent K(1), one Nb(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one K(1), one Nb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one K(1), one Nb(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(2), one Nb(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Nb(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one K(2), one Nb(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Nb(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one K(2), one Nb(2), and one C(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one K(2), one Nb(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one K(2), one Li(1), and one C(1) atom.
K2LiNb2P2(CO7)2 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), and two equivalent O(5) atoms. The K(1)-O(1) bond length is 2.71 Å. The K(1)-O(2) bond length is 3.31 Å. The K(1)-O(3) bond length is 2.89 Å. The K(1)-O(4) bond length is 3.29 Å. The K(1)-O(6) bond length is 3.33 Å. The K(1)-O(7) bond length is 2.86 Å. There is one shorter (2.80 Å) and one longer (3.06 Å) K(1)-O(5) bond length. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(14), and one O(8) atom. The K(2)-O(10) bond length is 2.72 Å. The K(2)-O(12) bond length is 2.66 Å. The K(2)-O(13) bond length is 2.79 Å. The K(2)-O(14) bond length is 2.58 Å. The K(2)-O(8) bond length is 2.85 Å. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(14), one O(2), and one O(3) atom. The Li(1)-O(1) bond length is 1.97 Å. The Li(1)-O(14) bond length is 2.16 Å. The Li(1)-O(2) bond length is 2.02 Å. The Li(1)-O(3) bond length is 2.13 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form NbO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. The Nb(1)-O(2) bond length is 2.27 Å. The Nb(1)-O(3) bond length is 2.16 Å. The Nb(1)-O(4) bond length is 2.06 Å. The Nb(1)-O(5) bond length is 2.09 Å. The Nb(1)-O(6) bond length is 2.11 Å. The Nb(1)-O(8) bond length is 2.14 Å. In the second Nb site, Nb(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(7), and one O(9) atom to form NbO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. The Nb(2)-O(10) bond length is 2.12 Å. The Nb(2)-O(11) bond length is 2.01 Å. The Nb(2)-O(12) bond length is 2.14 Å. The Nb(2)-O(13) bond length is 2.16 Å. The Nb(2)-O(7) bond length is 2.15 Å. The Nb(2)-O(9) bond length is 2.10 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(14), one O(2), and one O(3) atom. The C(1)-O(14) bond length is 1.25 Å. The C(1)-O(2) bond length is 1.32 Å. The C(1)-O(3) bond length is 1.35 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(13) atom. The C(2)-O(1) bond length is 1.27 Å. The C(2)-O(12) bond length is 1.33 Å. The C(2)-O(13) bond length is 1.32 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-42°. 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(7) bond length is 1.54 Å. The P(1)-O(9) bond length is 1.53 Å. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-45°. The P(2)-O(10) bond length is 1.55 Å. The P(2)-O(11) bond length is 1.58 Å. The P(2)-O(6) bond length is 1.54 Å. The P(2)-O(8) bond length is 1.54 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Li(1), and one C(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Li(1), one Nb(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one Li(1), one Nb(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one K(1), one Nb(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent K(1), one Nb(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one K(1), one Nb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one K(1), one Nb(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(2), one Nb(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Nb(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one K(2), one Nb(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Nb(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one K(2), one Nb(2), and one C(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one K(2), one Nb(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one K(2), one Li(1), and one C(1) atom.