K3V2(PO4)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), two equivalent O(2), and two equivalent O(6) atoms. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-31°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one V(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one K(2), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one K(2), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent K(2), one V(1), and one P(2) atom.
K3V2(PO4)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both K(1)-O(1) bond lengths are 2.68 Å. Both K(1)-O(2) bond lengths are 2.73 Å. Both K(1)-O(3) bond lengths are 2.74 Å. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), two equivalent O(2), and two equivalent O(6) atoms. The K(2)-O(1) bond length is 2.69 Å. The K(2)-O(3) bond length is 2.57 Å. The K(2)-O(4) bond length is 2.78 Å. The K(2)-O(5) bond length is 2.74 Å. There is one shorter (2.55 Å) and one longer (2.60 Å) K(2)-O(2) bond length. There is one shorter (2.77 Å) and one longer (2.79 Å) K(2)-O(6) bond length. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. The V(1)-O(1) bond length is 2.13 Å. The V(1)-O(2) bond length is 2.22 Å. The V(1)-O(3) bond length is 2.06 Å. The V(1)-O(4) bond length is 2.00 Å. The V(1)-O(5) bond length is 1.99 Å. The V(1)-O(6) bond length is 2.13 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(2) bond length is 1.57 Å. The P(1)-O(4) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.55 Å. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-31°. Both P(2)-O(3) bond lengths are 1.55 Å. Both P(2)-O(6) bond lengths are 1.56 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one V(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one K(2), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one K(2), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent K(2), one V(1), and one P(2) atom.