Ba10Ti8NbNiO30 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(1), two equivalent O(4), four equivalent O(6), and four equivalent O(8) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, and faces with two equivalent Ti(4)O6 octahedra. In the second Ba site, Ba(2) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(6), and four equivalent O(7) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with five equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, faces with two equivalent Nb(1)O6 octahedra, and faces with two equivalent Ni(1)O6 octahedra. In the third Ba site, Ba(3) is bonded to four equivalent O(5) and eight equivalent O(8) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(3)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ti(2)O6 octahedra, and faces with four equivalent Ti(4)O6 octahedra. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), and four equivalent O(6) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ti site, Ti(2) is bonded to one O(4), one O(5), and four equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with five equivalent Ti(4)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third Ti site, Ti(3) is bonded to one O(2), one O(4), and four equivalent O(6) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(5), and four equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with five equivalent Ti(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. Nb(1) is bonded to two equivalent O(2) and four equivalent O(7) atoms to form NbO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and faces with eight equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Ni(1) is bonded to two equivalent O(3) and four equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, and faces with eight equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are nine inequivalent O sites. In the first O site, O(4) is bonded to four equivalent Ba(1), one Ti(2), and one Ti(3) atom to form distorted OBa4Ti2 octahedra that share  a cornercorner with one O(5)Ba4Ti2 octahedra,  a cornercorner with one O(2)Ba4TiNb octahedra, corners with four equivalent O(4)Ba4Ti2 octahedra, and edges with four equivalent O(1)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(1) is bonded to four equivalent Ba(1), one Ti(1), and one Ti(4) atom to form a mixture of distorted corner and edge-sharing OBa4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(2) is bonded to four equivalent Ba(2), one Ti(3), and one Nb(1) atom to form distorted OBa4TiNb octahedra that share  a cornercorner with one O(4)Ba4Ti2 octahedra and corners with five equivalent O(2)Ba4TiNb octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Ba(2), one Ti(1), and one Ni(1) atom. In the fifth O site, O(4) is bonded to four equivalent Ba(1), one Ti(2), and one Ti(3) atom to form distorted OBa4Ti2 octahedra that share  a cornercorner with one O(5)Ba4Ti2 octahedra,  a cornercorner with one O(2)Ba4TiNb octahedra, corners with four equivalent O(4)Ba4Ti2 octahedra, and edges with four equivalent O(1)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth O site, O(5) is bonded to four equivalent Ba(3), one Ti(2), and one Ti(4) atom to form a mixture of distorted corner and edge-sharing OBa4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the seventh O site, O(6) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(3) atom. In the eighth O site, O(7) is bonded in a distorted linear geometry to four equivalent Ba(2), one Nb(1), and one Ni(1) atom. In the ninth O site, O(8) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(3), one Ti(2), and one Ti(4) atom.
Ba10Ti8NbNiO30 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(1), two equivalent O(4), four equivalent O(6), and four equivalent O(8) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, and faces with two equivalent Ti(4)O6 octahedra. Both Ba(1)-O(1) bond lengths are 2.85 Å. Both Ba(1)-O(4) bond lengths are 2.85 Å. All Ba(1)-O(6) bond lengths are 2.87 Å. All Ba(1)-O(8) bond lengths are 2.89 Å. In the second Ba site, Ba(2) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(6), and four equivalent O(7) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with five equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, faces with two equivalent Nb(1)O6 octahedra, and faces with two equivalent Ni(1)O6 octahedra. Both Ba(2)-O(2) bond lengths are 2.85 Å. Both Ba(2)-O(3) bond lengths are 2.85 Å. All Ba(2)-O(6) bond lengths are 2.92 Å. All Ba(2)-O(7) bond lengths are 2.90 Å. In the third Ba site, Ba(3) is bonded to four equivalent O(5) and eight equivalent O(8) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(3)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ti(2)O6 octahedra, and faces with four equivalent Ti(4)O6 octahedra. All Ba(3)-O(5) bond lengths are 2.85 Å. All Ba(3)-O(8) bond lengths are 2.88 Å. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), and four equivalent O(6) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Ti(1)-O(1) bond length is 2.30 Å. The Ti(1)-O(3) bond length is 1.81 Å. All Ti(1)-O(6) bond lengths are 2.02 Å. In the second Ti site, Ti(2) is bonded to one O(4), one O(5), and four equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with five equivalent Ti(4)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Ti(2)-O(4) bond length is 2.27 Å. The Ti(2)-O(5) bond length is 1.85 Å. All Ti(2)-O(8) bond lengths are 2.02 Å. In the third Ti site, Ti(3) is bonded to one O(2), one O(4), and four equivalent O(6) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Ti(3)-O(2) bond length is 2.20 Å. The Ti(3)-O(4) bond length is 1.88 Å. All Ti(3)-O(6) bond lengths are 2.02 Å. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(5), and four equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with five equivalent Ti(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Ti(4)-O(1) bond length is 1.83 Å. The Ti(4)-O(5) bond length is 2.29 Å. All Ti(4)-O(8) bond lengths are 2.02 Å. Nb(1) is bonded to two equivalent O(2) and four equivalent O(7) atoms to form NbO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and faces with eight equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Nb(1)-O(2) bond lengths are 2.08 Å. All Nb(1)-O(7) bond lengths are 2.01 Å. Ni(1) is bonded to two equivalent O(3) and four equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, and faces with eight equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Ni(1)-O(3) bond lengths are 2.23 Å. All Ni(1)-O(7) bond lengths are 2.02 Å. There are nine inequivalent O sites. In the first O site, O(4) is bonded to four equivalent Ba(1), one Ti(2), and one Ti(3) atom to form distorted OBa4Ti2 octahedra that share  a cornercorner with one O(5)Ba4Ti2 octahedra,  a cornercorner with one O(2)Ba4TiNb octahedra, corners with four equivalent O(4)Ba4Ti2 octahedra, and edges with four equivalent O(1)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. All O(4)-Ba(1) bond lengths are 2.85 Å. The O(4)-Ti(2) bond length is 2.27 Å. The O(4)-Ti(3) bond length is 1.88 Å. In the second O site, O(1) is bonded to four equivalent Ba(1), one Ti(1), and one Ti(4) atom to form a mixture of distorted corner and edge-sharing OBa4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(2) is bonded to four equivalent Ba(2), one Ti(3), and one Nb(1) atom to form distorted OBa4TiNb octahedra that share  a cornercorner with one O(4)Ba4Ti2 octahedra and corners with five equivalent O(2)Ba4TiNb octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Ba(2), one Ti(1), and one Ni(1) atom. In the fifth O site, O(4) is bonded to four equivalent Ba(1), one Ti(2), and one Ti(3) atom to form distorted OBa4Ti2 octahedra that share  a cornercorner with one O(5)Ba4Ti2 octahedra,  a cornercorner with one O(2)Ba4TiNb octahedra, corners with four equivalent O(4)Ba4Ti2 octahedra, and edges with four equivalent O(1)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth O site, O(5) is bonded to four equivalent Ba(3), one Ti(2), and one Ti(4) atom to form a mixture of distorted corner and edge-sharing OBa4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the seventh O site, O(6) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(3) atom. In the eighth O site, O(7) is bonded in a distorted linear geometry to four equivalent Ba(2), one Nb(1), and one Ni(1) atom. In the ninth O site, O(8) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(3), one Ti(2), and one Ti(4) atom.