Ba4ScTi4BiO15 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(2), one O(3), two equivalent O(1), four equivalent O(4), and four equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra; corners with four equivalent Bi(1)O12 cuboctahedra; corners with five Ba(2,2)O12 cuboctahedra; faces with two equivalent Ba(1)O12 cuboctahedra; faces with two equivalent Ba(2)O12 cuboctahedra; faces with two equivalent Bi(1)O12 cuboctahedra; faces with two equivalent Sc(1)O6 octahedra; faces with two equivalent Ti(2)O6 octahedra; and faces with four equivalent Ti(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(1), three equivalent O(3), four equivalent O(4), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Bi(1)O12 cuboctahedra; corners with five equivalent Ba(1)O12 cuboctahedra; corners with six Ba(2,2)O12 cuboctahedra; faces with two equivalent Ba(1)O12 cuboctahedra; faces with four Ba(2,2)O12 cuboctahedra; faces with two equivalent Ti(1)O6 octahedra; and faces with six equivalent Ti(2)O6 octahedra. In the third Ba site, Ba(2) is bonded to one O(1), three equivalent O(3), four equivalent O(4), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Bi(1)O12 cuboctahedra; corners with five equivalent Ba(1)O12 cuboctahedra; corners with six Ba(2,2)O12 cuboctahedra; faces with two equivalent Ba(1)O12 cuboctahedra; faces with four Ba(2,2)O12 cuboctahedra; faces with two equivalent Ti(1)O6 octahedra; and faces with six equivalent Ti(2)O6 octahedra. Sc(1) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form ScO6 octahedra that share corners with two equivalent Sc(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Bi(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Sc(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Bi(1)O12 cuboctahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Ti site, Ti(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra; corners with four equivalent Ti(2)O6 octahedra; faces with two equivalent Ba(1)O12 cuboctahedra; and faces with six Ba(2,2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to two O(1,1); two equivalent O(2); and eight equivalent O(5) atoms to form BiO12 cuboctahedra that share corners with two equivalent Ba(2)O12 cuboctahedra, corners with two equivalent Bi(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Bi(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sc(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sc(1), and two equivalent Bi(1) atoms. In the second O site, O(1) is bonded in a distorted linear geometry to one Ba(2), two equivalent Ba(1), two equivalent Ti(1), and one Bi(1) atom. In the third O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sc(1), and two equivalent Bi(1) atoms. In the fourth O site, O(1) is bonded in a distorted linear geometry to one Ba(2), two equivalent Ba(1), two equivalent Ti(1), and one Bi(1) atom. In the fifth O site, O(3) is bonded in a distorted linear geometry to one Ba(1); three Ba(2,2); and two equivalent Ti(2) atoms. In the sixth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(2) atom. In the seventh O site, O(5) is bonded in a distorted linear geometry to two equivalent Ba(1), one Sc(1), one Ti(1), and two equivalent Bi(1) atoms. In the eighth O site, O(6) is bonded in a distorted linear geometry to four Ba(2,2) and two equivalent Ti(2) atoms.
Ba4ScTi4BiO15 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(2), one O(3), two equivalent O(1), four equivalent O(4), and four equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra; corners with four equivalent Bi(1)O12 cuboctahedra; corners with five Ba(2,2)O12 cuboctahedra; faces with two equivalent Ba(1)O12 cuboctahedra; faces with two equivalent Ba(2)O12 cuboctahedra; faces with two equivalent Bi(1)O12 cuboctahedra; faces with two equivalent Sc(1)O6 octahedra; faces with two equivalent Ti(2)O6 octahedra; and faces with four equivalent Ti(1)O6 octahedra. The Ba(1)-O(2) bond length is 2.86 Å. The Ba(1)-O(3) bond length is 2.84 Å. Both Ba(1)-O(1) bond lengths are 2.87 Å. All Ba(1)-O(4) bond lengths are 2.85 Å. All Ba(1)-O(5) bond lengths are 2.92 Å. In the second Ba site, Ba(2) is bonded to one O(1), three equivalent O(3), four equivalent O(4), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Bi(1)O12 cuboctahedra; corners with five equivalent Ba(1)O12 cuboctahedra; corners with six Ba(2,2)O12 cuboctahedra; faces with two equivalent Ba(1)O12 cuboctahedra; faces with four Ba(2,2)O12 cuboctahedra; faces with two equivalent Ti(1)O6 octahedra; and faces with six equivalent Ti(2)O6 octahedra. The Ba(2)-O(1) bond length is 2.90 Å. There is one shorter (2.84 Å) and two longer (2.87 Å) Ba(2)-O(3) bond lengths. All Ba(2)-O(4) bond lengths are 2.87 Å. All Ba(2)-O(6) bond lengths are 2.86 Å. In the third Ba site, Ba(2) is bonded to one O(1), three equivalent O(3), four equivalent O(4), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Bi(1)O12 cuboctahedra; corners with five equivalent Ba(1)O12 cuboctahedra; corners with six Ba(2,2)O12 cuboctahedra; faces with two equivalent Ba(1)O12 cuboctahedra; faces with four Ba(2,2)O12 cuboctahedra; faces with two equivalent Ti(1)O6 octahedra; and faces with six equivalent Ti(2)O6 octahedra. The Ba(2)-O(1) bond length is 2.90 Å. There is one shorter (2.84 Å) and two longer (2.87 Å) Ba(2)-O(3) bond lengths. All Ba(2)-O(4) bond lengths are 2.87 Å. All Ba(2)-O(6) bond lengths are 2.86 Å. Sc(1) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form ScO6 octahedra that share corners with two equivalent Sc(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Bi(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. Both Sc(1)-O(2) bond lengths are 2.02 Å. All Sc(1)-O(5) bond lengths are 2.11 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Sc(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Bi(1)O12 cuboctahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. Both Ti(1)-O(1) bond lengths are 2.02 Å. Both Ti(1)-O(4) bond lengths are 2.04 Å. Both Ti(1)-O(5) bond lengths are 1.94 Å. In the second Ti site, Ti(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra; corners with four equivalent Ti(2)O6 octahedra; faces with two equivalent Ba(1)O12 cuboctahedra; and faces with six Ba(2,2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Ti(2)-O(3) bond lengths are 2.02 Å. Both Ti(2)-O(4) bond lengths are 2.01 Å. Both Ti(2)-O(6) bond lengths are 2.02 Å. Bi(1) is bonded to two O(1,1); two equivalent O(2); and eight equivalent O(5) atoms to form BiO12 cuboctahedra that share corners with two equivalent Ba(2)O12 cuboctahedra, corners with two equivalent Bi(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Bi(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sc(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. Both Bi(1)-O(1,1) bond lengths are 2.80 Å. Both Bi(1)-O(2) bond lengths are 2.87 Å. All Bi(1)-O(5) bond lengths are 2.80 Å. There are eight inequivalent O sites. In the first O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sc(1), and two equivalent Bi(1) atoms. Both O(2)-Sc(1) bond lengths are 2.02 Å. Both O(2)-Bi(1) bond lengths are 2.87 Å. In the second O site, O(1) is bonded in a distorted linear geometry to one Ba(2), two equivalent Ba(1), two equivalent Ti(1), and one Bi(1) atom. Both O(1)-Ba(1) bond lengths are 2.87 Å. Both O(1)-Ti(1) bond lengths are 2.02 Å. In the third O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sc(1), and two equivalent Bi(1) atoms. Both O(2)-Ba(1) bond lengths are 2.86 Å. In the fourth O site, O(1) is bonded in a distorted linear geometry to one Ba(2), two equivalent Ba(1), two equivalent Ti(1), and one Bi(1) atom. In the fifth O site, O(3) is bonded in a distorted linear geometry to one Ba(1); three Ba(2,2); and two equivalent Ti(2) atoms. In the sixth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(2) atom. In the seventh O site, O(5) is bonded in a distorted linear geometry to two equivalent Ba(1), one Sc(1), one Ti(1), and two equivalent Bi(1) atoms. In the eighth O site, O(6) is bonded in a distorted linear geometry to four Ba(2,2) and two equivalent Ti(2) atoms.