NaBa2LaTi4O12 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Na(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form NaO12 cuboctahedra that share corners with four equivalent Na(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with four equivalent Na(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra,  a faceface with one Na(1)O12 cuboctahedra,  a faceface with one La(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. La(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Na(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Ti(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Na(1), two equivalent Ba(1), one La(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OBa4Ti2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent La(1), and two equivalent Ti(1) atoms.
NaBa2LaTi4O12 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Na(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form NaO12 cuboctahedra that share corners with four equivalent Na(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. All Na(1)-O(3) bond lengths are 2.81 Å. All Na(1)-O(1) bond lengths are 2.78 Å. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with four equivalent Na(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra,  a faceface with one Na(1)O12 cuboctahedra,  a faceface with one La(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. All Ba(1)-O(2) bond lengths are 2.81 Å. There are four shorter (2.87 Å) and four longer (2.88 Å) Ba(1)-O(1) bond lengths. La(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Na(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. All La(1)-O(3) bond lengths are 2.81 Å. All La(1)-O(1) bond lengths are 2.71 Å. Ti(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. The Ti(1)-O(2) bond length is 2.04 Å. The Ti(1)-O(3) bond length is 1.93 Å. All Ti(1)-O(1) bond lengths are 1.99 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Na(1), two equivalent Ba(1), one La(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OBa4Ti2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent La(1), and two equivalent Ti(1) atoms.