BaCaNdSbO6 crystallizes in the orthorhombic Pnnn space group. 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 faces with four equivalent Nd(1)O6 octahedra and faces with four equivalent Sb(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded in a distorted square co-planar geometry to four equivalent O(1) and four equivalent O(3) atoms. 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 Sb(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 19-31°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 19-31°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ca(2), one Nd(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Ca(1), one Nd(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ca(2), one Nd(1), and one Sb(1) atom.
BaCaNdSbO6 crystallizes in the orthorhombic Pnnn space group. 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 faces with four equivalent Nd(1)O6 octahedra and faces with four equivalent Sb(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 2.92 Å. All Ba(1)-O(2) bond lengths are 3.15 Å. All Ba(1)-O(3) bond lengths are 3.00 Å. In the second Ba site, Ba(2) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. All Ba(2)-O(2) bond lengths are 2.98 Å. All Ba(2)-O(3) bond lengths are 2.66 Å. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. All Ca(1)-O(2) bond lengths are 2.44 Å. In the second Ca site, Ca(2) is bonded in a distorted square co-planar geometry to four equivalent O(1) and four equivalent O(3) atoms. All Ca(2)-O(1) bond lengths are 2.46 Å. All Ca(2)-O(3) bond lengths are 3.07 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 Sb(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 19-31°. Both Nd(1)-O(1) bond lengths are 2.37 Å. Both Nd(1)-O(2) bond lengths are 2.37 Å. Both Nd(1)-O(3) bond lengths are 2.31 Å. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 19-31°. Both Sb(1)-O(1) bond lengths are 2.04 Å. Both Sb(1)-O(2) bond lengths are 2.04 Å. Both Sb(1)-O(3) bond lengths are 2.00 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ca(2), one Nd(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Ca(1), one Nd(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ca(2), one Nd(1), and one Sb(1) atom.