Ba2MgYbSbO6 crystallizes in the orthorhombic Immm space group. Ba(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(1), and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent Ba(1) and four equivalent O(1) atoms. Yb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form YbO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. Sb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with six equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Mg(1), one Yb(1), and one Sb(1) atom to form distorted OBa2YbMgSb trigonal bipyramids that share corners with four equivalent O(2)Ba4YbSb octahedra, corners with three equivalent O(1)Ba2YbMgSb trigonal bipyramids, edges with four equivalent O(2)Ba4YbSb octahedra, edges with three equivalent O(1)Ba2YbMgSb trigonal bipyramids, and faces with two equivalent O(1)Ba2YbMgSb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-52°. In the second O site, O(2) is bonded to four equivalent Ba(1), one Yb(1), and one Sb(1) atom to form distorted OBa4YbSb octahedra that share corners with six equivalent O(2)Ba4YbSb octahedra, corners with eight equivalent O(1)Ba2YbMgSb trigonal bipyramids, edges with four equivalent O(2)Ba4YbSb octahedra, and edges with eight equivalent O(1)Ba2YbMgSb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-30°.
Ba2MgYbSbO6 crystallizes in the orthorhombic Immm space group. Ba(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(1), and four equivalent O(2) atoms. The Ba(1)-Mg(1) bond length is 3.03 Å. All Ba(1)-O(1) bond lengths are 2.94 Å. There are two shorter (3.06 Å) and two longer (3.14 Å) Ba(1)-O(2) bond lengths. Mg(1) is bonded in a square co-planar geometry to two equivalent Ba(1) and four equivalent O(1) atoms. All Mg(1)-O(1) bond lengths are 2.04 Å. Yb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form YbO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. Both Yb(1)-O(2) bond lengths are 2.69 Å. All Yb(1)-O(1) bond lengths are 2.19 Å. Sb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with six equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. Both Sb(1)-O(2) bond lengths are 2.23 Å. All Sb(1)-O(1) bond lengths are 2.11 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Mg(1), one Yb(1), and one Sb(1) atom to form distorted OBa2YbMgSb trigonal bipyramids that share corners with four equivalent O(2)Ba4YbSb octahedra, corners with three equivalent O(1)Ba2YbMgSb trigonal bipyramids, edges with four equivalent O(2)Ba4YbSb octahedra, edges with three equivalent O(1)Ba2YbMgSb trigonal bipyramids, and faces with two equivalent O(1)Ba2YbMgSb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-52°. In the second O site, O(2) is bonded to four equivalent Ba(1), one Yb(1), and one Sb(1) atom to form distorted OBa4YbSb octahedra that share corners with six equivalent O(2)Ba4YbSb octahedra, corners with eight equivalent O(1)Ba2YbMgSb trigonal bipyramids, edges with four equivalent O(2)Ba4YbSb octahedra, and edges with eight equivalent O(1)Ba2YbMgSb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-30°.