KBaNdWO6 crystallizes in the orthorhombic Pnnn space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted KO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Nd(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. In the second K site, K(2) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Nd(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Nd(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. Nd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NdO6 octahedra that share corners with six equivalent W(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-13°. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-13°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Nd(1), and one W(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Nd(1), and one W(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Nd(1), and one W(1) atom.
KBaNdWO6 crystallizes in the orthorhombic Pnnn space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted KO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Nd(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. All K(1)-O(1) bond lengths are 3.25 Å. All K(1)-O(2) bond lengths are 3.11 Å. All K(1)-O(3) bond lengths are 2.88 Å. In the second K site, K(2) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. All K(2)-O(1) bond lengths are 2.84 Å. All K(2)-O(2) bond lengths are 3.29 Å. All K(2)-O(3) bond lengths are 3.10 Å. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Nd(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.06 Å. All Ba(1)-O(2) bond lengths are 2.81 Å. All Ba(1)-O(3) bond lengths are 3.22 Å. In the second Ba site, Ba(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Nd(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. All Ba(2)-O(1) bond lengths are 3.05 Å. All Ba(2)-O(2) bond lengths are 3.01 Å. All Ba(2)-O(3) bond lengths are 3.00 Å. Nd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NdO6 octahedra that share corners with six equivalent W(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-13°. Both Nd(1)-O(1) bond lengths are 2.36 Å. Both Nd(1)-O(2) bond lengths are 2.35 Å. Both Nd(1)-O(3) bond lengths are 2.36 Å. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-13°. Both W(1)-O(1) bond lengths are 1.96 Å. Both W(1)-O(2) bond lengths are 1.97 Å. Both W(1)-O(3) bond lengths are 1.96 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Nd(1), and one W(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Nd(1), and one W(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Nd(1), and one W(1) atom.