LaCr2ZnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. Cr(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 27-37°. Zn(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one La(1), two equivalent Cr(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), two equivalent Cr(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent Cr(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(1), two equivalent Cr(1), and one Zn(1) atom.
LaCr2ZnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. The La(1)-O(1) bond length is 2.34 Å. The La(1)-O(4) bond length is 2.48 Å. Both La(1)-O(2) bond lengths are 2.38 Å. There are two shorter (2.67 Å) and two longer (2.73 Å) La(1)-O(3) bond lengths. Cr(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 27-37°. The Cr(1)-O(1) bond length is 2.00 Å. The Cr(1)-O(4) bond length is 2.07 Å. There is one shorter (1.89 Å) and one longer (1.98 Å) Cr(1)-O(2) bond length. There is one shorter (1.95 Å) and one longer (2.09 Å) Cr(1)-O(3) bond length. Zn(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. The Zn(1)-O(1) bond length is 2.30 Å. The Zn(1)-O(4) bond length is 2.06 Å. Both Zn(1)-O(2) bond lengths are 2.53 Å. Both Zn(1)-O(3) bond lengths are 2.16 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one La(1), two equivalent Cr(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), two equivalent Cr(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent Cr(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(1), two equivalent Cr(1), and one Zn(1) atom.