Lu2Fe3O7 is Aluminum carbonitride-like structured and crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form distorted LuO6 octahedra that share corners with three equivalent Fe(1)O5 trigonal bipyramids, corners with three equivalent Fe(2)O5 trigonal bipyramids, and edges with six equivalent Lu(1)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3) and four equivalent O(2) atoms to form FeO5 trigonal bipyramids that share corners with three equivalent Lu(1)O6 octahedra, corners with six equivalent Fe(1)O5 trigonal bipyramids, and edges with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 61°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and three equivalent O(4) atoms to form FeO5 trigonal bipyramids that share corners with six equivalent Lu(1)O6 octahedra and corners with six equivalent Fe(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 65°. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Lu(1) and one Fe(2) atom to form a mixture of corner and edge-sharing OLu3Fe tetrahedra. In the second O site, O(2) is bonded to four equivalent Fe(1) atoms to form OFe4 trigonal pyramids that share corners with four equivalent O(3)Lu3Fe tetrahedra, corners with six equivalent O(2)Fe4 trigonal pyramids, and edges with three equivalent O(2)Fe4 trigonal pyramids. In the third O site, O(3) is bonded to three equivalent Lu(1) and one Fe(1) atom to form distorted OLu3Fe tetrahedra that share corners with three equivalent O(1)Lu3Fe tetrahedra, corners with six equivalent O(3)Lu3Fe tetrahedra, corners with four equivalent O(2)Fe4 trigonal pyramids, and edges with three equivalent O(1)Lu3Fe tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to three equivalent Fe(2) atoms.
Lu2Fe3O7 is Aluminum carbonitride-like structured and crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form distorted LuO6 octahedra that share corners with three equivalent Fe(1)O5 trigonal bipyramids, corners with three equivalent Fe(2)O5 trigonal bipyramids, and edges with six equivalent Lu(1)O6 octahedra. All Lu(1)-O(1) bond lengths are 2.20 Å. All Lu(1)-O(3) bond lengths are 2.28 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3) and four equivalent O(2) atoms to form FeO5 trigonal bipyramids that share corners with three equivalent Lu(1)O6 octahedra, corners with six equivalent Fe(1)O5 trigonal bipyramids, and edges with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 61°. The Fe(1)-O(3) bond length is 1.96 Å. There are three shorter (2.02 Å) and one longer (2.19 Å) Fe(1)-O(2) bond length. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and three equivalent O(4) atoms to form FeO5 trigonal bipyramids that share corners with six equivalent Lu(1)O6 octahedra and corners with six equivalent Fe(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 65°. Both Fe(2)-O(1) bond lengths are 2.01 Å. All Fe(2)-O(4) bond lengths are 2.00 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Lu(1) and one Fe(2) atom to form a mixture of corner and edge-sharing OLu3Fe tetrahedra. In the second O site, O(2) is bonded to four equivalent Fe(1) atoms to form OFe4 trigonal pyramids that share corners with four equivalent O(3)Lu3Fe tetrahedra, corners with six equivalent O(2)Fe4 trigonal pyramids, and edges with three equivalent O(2)Fe4 trigonal pyramids. In the third O site, O(3) is bonded to three equivalent Lu(1) and one Fe(1) atom to form distorted OLu3Fe tetrahedra that share corners with three equivalent O(1)Lu3Fe tetrahedra, corners with six equivalent O(3)Lu3Fe tetrahedra, corners with four equivalent O(2)Fe4 trigonal pyramids, and edges with three equivalent O(1)Lu3Fe tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to three equivalent Fe(2) atoms.