Lu2FeCoO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. In the second Lu site, Lu(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-40°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Co(1)O6 octahedra and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-40°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Lu(1), one Lu(2), one Fe(1), and one Co(2) atom to form distorted corner-sharing OLu2FeCo trigonal pyramids. In the second O site, O(2) is bonded to one Lu(1), one Lu(2), one Fe(2), and one Co(1) atom to form distorted corner-sharing OLu2FeCo trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Lu(1), two equivalent Lu(2), one Fe(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Lu(2), two equivalent Lu(1), one Fe(2), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Lu(1), two equivalent Lu(2), one Fe(2), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Lu(2), two equivalent Lu(1), one Fe(1), and one Co(1) atom.
Lu2FeCoO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. The Lu(1)-O(1) bond length is 2.25 Å. The Lu(1)-O(2) bond length is 2.19 Å. The Lu(1)-O(3) bond length is 2.39 Å. The Lu(1)-O(5) bond length is 2.38 Å. There is one shorter (2.26 Å) and one longer (2.64 Å) Lu(1)-O(4) bond length. There is one shorter (2.25 Å) and one longer (2.70 Å) Lu(1)-O(6) bond length. In the second Lu site, Lu(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. The Lu(2)-O(1) bond length is 2.19 Å. The Lu(2)-O(2) bond length is 2.24 Å. The Lu(2)-O(4) bond length is 2.43 Å. The Lu(2)-O(6) bond length is 2.46 Å. There is one shorter (2.20 Å) and one longer (2.67 Å) Lu(2)-O(3) bond length. There is one shorter (2.22 Å) and one longer (2.69 Å) Lu(2)-O(5) bond length. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-40°. Both Fe(1)-O(1) bond lengths are 2.04 Å. Both Fe(1)-O(3) bond lengths are 1.98 Å. Both Fe(1)-O(6) bond lengths are 2.05 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Co(1)O6 octahedra and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. Both Fe(2)-O(2) bond lengths are 2.01 Å. Both Fe(2)-O(4) bond lengths are 2.01 Å. Both Fe(2)-O(5) bond lengths are 2.06 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-40°. Both Co(1)-O(2) bond lengths are 1.99 Å. Both Co(1)-O(3) bond lengths are 2.08 Å. Both Co(1)-O(6) bond lengths are 1.93 Å. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. Both Co(2)-O(1) bond lengths are 1.96 Å. Both Co(2)-O(4) bond lengths are 1.96 Å. Both Co(2)-O(5) bond lengths are 1.97 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Lu(1), one Lu(2), one Fe(1), and one Co(2) atom to form distorted corner-sharing OLu2FeCo trigonal pyramids. In the second O site, O(2) is bonded to one Lu(1), one Lu(2), one Fe(2), and one Co(1) atom to form distorted corner-sharing OLu2FeCo trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Lu(1), two equivalent Lu(2), one Fe(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Lu(2), two equivalent Lu(1), one Fe(2), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Lu(1), two equivalent Lu(2), one Fe(2), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Lu(2), two equivalent Lu(1), one Fe(1), and one Co(1) atom.