KBaTbBiO6 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 KO12 cuboctahedra that share corners with four equivalent K(2)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. In the second K site, K(2) 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 K(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. 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 BaO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent K(2)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent Bi(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 K(2)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. Tb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TbO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)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 7-13°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)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 7-13°. 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 Tb(1), and one Bi(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 Tb(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Tb(1), and one Bi(1) atom.
KBaTbBiO6 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 KO12 cuboctahedra that share corners with four equivalent K(2)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. All K(1)-O(1) bond lengths are 3.26 Å. All K(1)-O(2) bond lengths are 3.18 Å. All K(1)-O(3) bond lengths are 2.96 Å. In the second K site, K(2) 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 K(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. All K(2)-O(1) bond lengths are 2.91 Å. All K(2)-O(2) bond lengths are 3.33 Å. All K(2)-O(3) bond lengths are 3.16 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 BaO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent K(2)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.10 Å. All Ba(1)-O(2) bond lengths are 2.86 Å. All Ba(1)-O(3) bond lengths are 3.21 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 K(2)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. All Ba(2)-O(1) bond lengths are 3.09 Å. All Ba(2)-O(2) bond lengths are 3.03 Å. All Ba(2)-O(3) bond lengths are 3.01 Å. Tb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TbO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)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 7-13°. Both Tb(1)-O(1) bond lengths are 2.25 Å. Both Tb(1)-O(2) bond lengths are 2.25 Å. Both Tb(1)-O(3) bond lengths are 2.25 Å. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)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 7-13°. Both Bi(1)-O(1) bond lengths are 2.13 Å. Both Bi(1)-O(2) bond lengths are 2.13 Å. Both Bi(1)-O(3) bond lengths are 2.13 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 Tb(1), and one Bi(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 Tb(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Tb(1), and one Bi(1) atom.