La2NbCrO6 crystallizes in the tetragonal I4/m space group. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent La(1), one Nb(1), and one Cr(1) atom. In the second O site, O(2) is bonded to two equivalent La(1), one Nb(1), and one Cr(1) atom to form a mixture of distorted edge and corner-sharing OLa2NbCr tetrahedra.
La2NbCrO6 crystallizes in the tetragonal I4/m space group. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. All La(1)-O(1) bond lengths are 2.88 Å. All La(1)-O(2) bond lengths are 2.47 Å. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. Both Nb(1)-O(1) bond lengths are 2.05 Å. All Nb(1)-O(2) bond lengths are 2.05 Å. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. Both Cr(1)-O(1) bond lengths are 2.00 Å. All Cr(1)-O(2) bond lengths are 2.21 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent La(1), one Nb(1), and one Cr(1) atom. In the second O site, O(2) is bonded to two equivalent La(1), one Nb(1), and one Cr(1) atom to form a mixture of distorted edge and corner-sharing OLa2NbCr tetrahedra.