BaSrGdSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic P222 space group. There are four 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 faces with four equivalent Gd(1)O6 octahedra and faces with four equivalent Sb(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to four equivalent O(4), four equivalent O(5), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share faces with four equivalent Gd(1)O6 octahedra and faces with four equivalent Sb(1)O6 octahedra. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(4) atoms. In the fourth Ba site, Ba(4) is bonded in a 12-coordinate geometry to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 4-coordinate geometry to four equivalent O(1) and four equivalent O(6) atoms. Gd(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form GdO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, and  a faceface with one Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 15-20°. Sb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SbO6 octahedra that share corners with six equivalent Gd(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, and  a faceface with one Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 15-20°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Ba(2), one Sr(1), one Sr(3), one Gd(1), and one Sb(1) atom. In the second O site, O(6) is bonded in a 5-coordinate geometry to one Ba(2), one Sr(2), one Sr(4), one Gd(1), and one Sb(1) atom. In the third O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(1), one Sr(4), one Gd(1), and one Sb(1) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(4), one Gd(1), and one Sb(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Sr(3), one Gd(1), and one Sb(1) atom. In the sixth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Ba(4), one Gd(1), and one Sb(1) atom.
BaSrGdSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic P222 space group. There are four 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 faces with four equivalent Gd(1)O6 octahedra and faces with four equivalent Sb(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.07 Å. All Ba(1)-O(2) bond lengths are 2.98 Å. All Ba(1)-O(3) bond lengths are 3.00 Å. In the second Ba site, Ba(2) is bonded to four equivalent O(4), four equivalent O(5), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share faces with four equivalent Gd(1)O6 octahedra and faces with four equivalent Sb(1)O6 octahedra. All Ba(2)-O(4) bond lengths are 3.01 Å. All Ba(2)-O(5) bond lengths are 3.02 Å. All Ba(2)-O(6) bond lengths are 3.02 Å. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(4) atoms. All Ba(3)-O(3) bond lengths are 3.05 Å. All Ba(3)-O(4) bond lengths are 2.75 Å. In the fourth Ba site, Ba(4) is bonded in a 12-coordinate geometry to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms. All Ba(4)-O(2) bond lengths are 2.76 Å. All Ba(4)-O(3) bond lengths are 3.36 Å. All Ba(4)-O(4) bond lengths are 3.03 Å. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(5) atoms. All Sr(1)-O(1) bond lengths are 2.99 Å. All Sr(1)-O(5) bond lengths are 2.63 Å. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent O(6) atoms. All Sr(2)-O(6) bond lengths are 2.65 Å. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(5) atoms. All Sr(3)-O(3) bond lengths are 2.65 Å. All Sr(3)-O(5) bond lengths are 3.04 Å. In the fourth Sr site, Sr(4) is bonded in a 4-coordinate geometry to four equivalent O(1) and four equivalent O(6) atoms. All Sr(4)-O(1) bond lengths are 2.63 Å. All Sr(4)-O(6) bond lengths are 3.03 Å. Gd(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form GdO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, and  a faceface with one Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 15-20°. The Gd(1)-O(1) bond length is 2.26 Å. The Gd(1)-O(2) bond length is 2.26 Å. The Gd(1)-O(3) bond length is 2.32 Å. The Gd(1)-O(4) bond length is 2.29 Å. The Gd(1)-O(5) bond length is 2.29 Å. The Gd(1)-O(6) bond length is 2.25 Å. Sb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SbO6 octahedra that share corners with six equivalent Gd(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, and  a faceface with one Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 15-20°. The Sb(1)-O(1) bond length is 2.01 Å. The Sb(1)-O(2) bond length is 2.01 Å. The Sb(1)-O(3) bond length is 2.04 Å. The Sb(1)-O(4) bond length is 2.02 Å. The Sb(1)-O(5) bond length is 2.02 Å. The Sb(1)-O(6) bond length is 2.01 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Ba(2), one Sr(1), one Sr(3), one Gd(1), and one Sb(1) atom. In the second O site, O(6) is bonded in a 5-coordinate geometry to one Ba(2), one Sr(2), one Sr(4), one Gd(1), and one Sb(1) atom. In the third O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(1), one Sr(4), one Gd(1), and one Sb(1) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(4), one Gd(1), and one Sb(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Sr(3), one Gd(1), and one Sb(1) atom. In the sixth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Ba(4), one Gd(1), and one Sb(1) atom.