NaBa3Sr(SbO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmme space group. Na(1) is bonded to one O(2), one O(3), and four equivalent O(6) atoms to form NaO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(2), two equivalent O(4), four equivalent O(1), and four equivalent O(6) 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 Sr(1)O12 cuboctahedra, faces with four equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, faces with two equivalent Sb(1)O6 octahedra, and faces with four equivalent Sb(2)O6 octahedra. In the second Ba site, Ba(2) is bonded to two equivalent O(3), two equivalent O(5), four equivalent O(1), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, faces with two equivalent Sb(1)O6 octahedra, and faces with four equivalent Sb(2)O6 octahedra. In the third Ba site, Ba(3) is bonded to two equivalent O(2), two equivalent O(4), four equivalent O(1), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(3)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, faces with two equivalent Sb(1)O6 octahedra, and faces with four equivalent Sb(2)O6 octahedra. Sr(1) is bonded to two equivalent O(3), two equivalent O(5), four equivalent O(1), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, faces with two equivalent Sb(1)O6 octahedra, and faces with four equivalent Sb(2)O6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second Sb site, Sb(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(2), one Ba(3), one Sr(1), one Sb(1), and one Sb(2) atom to form distorted OBa3SrSb2 octahedra that share corners with two equivalent O(5)Ba2Sr2Sb2 octahedra, corners with two equivalent O(4)Ba4Sb2 octahedra, corners with ten equivalent O(1)Ba3SrSb2 octahedra,  a faceface with one O(5)Ba2Sr2Sb2 octahedra,  a faceface with one O(4)Ba4Sb2 octahedra, and faces with two equivalent O(1)Ba3SrSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the second O site, O(2) is bonded in a distorted linear geometry to one Na(1), two equivalent Ba(1), two equivalent Ba(3), and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Na(1), two equivalent Ba(2), two equivalent Sr(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded to two equivalent Ba(1), two equivalent Ba(3), and two equivalent Sb(2) atoms to form distorted OBa4Sb2 octahedra that share corners with two equivalent O(5)Ba2Sr2Sb2 octahedra, corners with four equivalent O(4)Ba4Sb2 octahedra, corners with eight equivalent O(1)Ba3SrSb2 octahedra, and faces with four equivalent O(1)Ba3SrSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fifth O site, O(5) is bonded to two equivalent Ba(2), two equivalent Sr(1), and two equivalent Sb(2) atoms to form distorted OBa2Sr2Sb2 octahedra that share corners with two equivalent O(4)Ba4Sb2 octahedra, corners with four equivalent O(5)Ba2Sr2Sb2 octahedra, corners with eight equivalent O(1)Ba3SrSb2 octahedra, and faces with four equivalent O(1)Ba3SrSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Na(1), one Ba(1), one Ba(2), one Ba(3), one Sr(1), and one Sb(2) atom.
NaBa3Sr(SbO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmme space group. Na(1) is bonded to one O(2), one O(3), and four equivalent O(6) atoms to form NaO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. The Na(1)-O(2) bond length is 2.30 Å. The Na(1)-O(3) bond length is 2.26 Å. All Na(1)-O(6) bond lengths are 2.27 Å. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(2), two equivalent O(4), four equivalent O(1), and four equivalent O(6) 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 Sr(1)O12 cuboctahedra, faces with four equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, faces with two equivalent Sb(1)O6 octahedra, and faces with four equivalent Sb(2)O6 octahedra. Both Ba(1)-O(2) bond lengths are 2.97 Å. Both Ba(1)-O(4) bond lengths are 2.95 Å. All Ba(1)-O(1) bond lengths are 2.95 Å. All Ba(1)-O(6) bond lengths are 2.95 Å. In the second Ba site, Ba(2) is bonded to two equivalent O(3), two equivalent O(5), four equivalent O(1), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, faces with two equivalent Sb(1)O6 octahedra, and faces with four equivalent Sb(2)O6 octahedra. Both Ba(2)-O(3) bond lengths are 2.96 Å. Both Ba(2)-O(5) bond lengths are 2.97 Å. All Ba(2)-O(1) bond lengths are 2.98 Å. All Ba(2)-O(6) bond lengths are 2.99 Å. In the third Ba site, Ba(3) is bonded to two equivalent O(2), two equivalent O(4), four equivalent O(1), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(3)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, faces with two equivalent Sb(1)O6 octahedra, and faces with four equivalent Sb(2)O6 octahedra. Both Ba(3)-O(2) bond lengths are 2.96 Å. Both Ba(3)-O(4) bond lengths are 2.97 Å. All Ba(3)-O(1) bond lengths are 3.04 Å. All Ba(3)-O(6) bond lengths are 3.03 Å. Sr(1) is bonded to two equivalent O(3), two equivalent O(5), four equivalent O(1), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, faces with two equivalent Sb(1)O6 octahedra, and faces with four equivalent Sb(2)O6 octahedra. Both Sr(1)-O(3) bond lengths are 2.97 Å. Both Sr(1)-O(5) bond lengths are 2.95 Å. All Sr(1)-O(1) bond lengths are 2.89 Å. All Sr(1)-O(6) bond lengths are 2.90 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. The Sb(1)-O(2) bond length is 1.92 Å. The Sb(1)-O(3) bond length is 1.91 Å. All Sb(1)-O(1) bond lengths are 2.09 Å. In the second Sb site, Sb(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. The Sb(2)-O(4) bond length is 2.12 Å. The Sb(2)-O(5) bond length is 2.08 Å. Both Sb(2)-O(1) bond lengths are 2.10 Å. Both Sb(2)-O(6) bond lengths are 1.91 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(2), one Ba(3), one Sr(1), one Sb(1), and one Sb(2) atom to form distorted OBa3SrSb2 octahedra that share corners with two equivalent O(5)Ba2Sr2Sb2 octahedra, corners with two equivalent O(4)Ba4Sb2 octahedra, corners with ten equivalent O(1)Ba3SrSb2 octahedra,  a faceface with one O(5)Ba2Sr2Sb2 octahedra,  a faceface with one O(4)Ba4Sb2 octahedra, and faces with two equivalent O(1)Ba3SrSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the second O site, O(2) is bonded in a distorted linear geometry to one Na(1), two equivalent Ba(1), two equivalent Ba(3), and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Na(1), two equivalent Ba(2), two equivalent Sr(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded to two equivalent Ba(1), two equivalent Ba(3), and two equivalent Sb(2) atoms to form distorted OBa4Sb2 octahedra that share corners with two equivalent O(5)Ba2Sr2Sb2 octahedra, corners with four equivalent O(4)Ba4Sb2 octahedra, corners with eight equivalent O(1)Ba3SrSb2 octahedra, and faces with four equivalent O(1)Ba3SrSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fifth O site, O(5) is bonded to two equivalent Ba(2), two equivalent Sr(1), and two equivalent Sb(2) atoms to form distorted OBa2Sr2Sb2 octahedra that share corners with two equivalent O(4)Ba4Sb2 octahedra, corners with four equivalent O(5)Ba2Sr2Sb2 octahedra, corners with eight equivalent O(1)Ba3SrSb2 octahedra, and faces with four equivalent O(1)Ba3SrSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Na(1), one Ba(1), one Ba(2), one Ba(3), one Sr(1), and one Sb(2) atom.