Ba2PrSeO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pn-3 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(2)O12 cuboctahedra, faces with six equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Pr(1)O6 octahedra, and faces with four equivalent Se(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Pr(1)O6 octahedra, and faces with four equivalent Se(1)O6 octahedra. Pr(1) is bonded to six equivalent O(1) atoms to form PrO6 octahedra that share corners with six equivalent Se(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. Se(1) is bonded to six equivalent O(1) atoms to form SeO6 octahedra that share corners with six equivalent Pr(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. O(1) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one Pr(1), and one Se(1) atom.
Ba2PrSeO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pn-3 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(2)O12 cuboctahedra, faces with six equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Pr(1)O6 octahedra, and faces with four equivalent Se(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.05 Å. In the second Ba site, Ba(2) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Pr(1)O6 octahedra, and faces with four equivalent Se(1)O6 octahedra. There are a spread of Ba(2)-O(1) bond distances ranging from 2.92-3.17 Å. Pr(1) is bonded to six equivalent O(1) atoms to form PrO6 octahedra that share corners with six equivalent Se(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. All Pr(1)-O(1) bond lengths are 2.33 Å. Se(1) is bonded to six equivalent O(1) atoms to form SeO6 octahedra that share corners with six equivalent Pr(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. All Se(1)-O(1) bond lengths are 1.97 Å. O(1) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one Pr(1), and one Se(1) atom.