LaCrReO6 crystallizes in the triclinic P1 space group. La(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted LaO12 cuboctahedra that share corners with twelve equivalent La(1)O12 cuboctahedra, faces with four equivalent Cr(1)O6 octahedra, and faces with four equivalent Re(1)O6 octahedra. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with six equivalent Re(1)O6 octahedra and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-17°. Re(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form ReO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-17°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Re(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent La(1), one Cr(1), and one Re(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Re(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(1), one Cr(1), and one Re(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent La(1), one Cr(1), and one Re(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Cr(1), and one Re(1) atom.
LaCrReO6 crystallizes in the triclinic P1 space group. La(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted LaO12 cuboctahedra that share corners with twelve equivalent La(1)O12 cuboctahedra, faces with four equivalent Cr(1)O6 octahedra, and faces with four equivalent Re(1)O6 octahedra. There is one shorter (2.48 Å) and one longer (3.01 Å) La(1)-O(1) bond length. There is one shorter (2.60 Å) and one longer (2.89 Å) La(1)-O(2) bond length. There is one shorter (2.54 Å) and one longer (2.95 Å) La(1)-O(3) bond length. There is one shorter (2.57 Å) and one longer (2.91 Å) La(1)-O(4) bond length. There is one shorter (2.64 Å) and one longer (2.84 Å) La(1)-O(5) bond length. There is one shorter (2.73 Å) and one longer (2.78 Å) La(1)-O(6) bond length. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with six equivalent Re(1)O6 octahedra and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-17°. The Cr(1)-O(1) bond length is 1.99 Å. The Cr(1)-O(2) bond length is 1.98 Å. The Cr(1)-O(3) bond length is 1.98 Å. The Cr(1)-O(4) bond length is 1.98 Å. The Cr(1)-O(5) bond length is 1.98 Å. The Cr(1)-O(6) bond length is 1.97 Å. Re(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form ReO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-17°. The Re(1)-O(1) bond length is 1.93 Å. The Re(1)-O(2) bond length is 1.92 Å. The Re(1)-O(3) bond length is 1.92 Å. The Re(1)-O(4) bond length is 1.92 Å. The Re(1)-O(5) bond length is 1.92 Å. The Re(1)-O(6) bond length is 1.91 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Re(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent La(1), one Cr(1), and one Re(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Re(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(1), one Cr(1), and one Re(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent La(1), one Cr(1), and one Re(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Cr(1), and one Re(1) atom.