NdFeO3 crystallizes in the orthorhombic Pnma space group. Nd(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. Fe(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Nd(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to four equivalent Nd(1) atoms.
NdFeO3 crystallizes in the orthorhombic Pnma space group. Nd(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. Both Nd(1)-O(1) bond lengths are 2.37 Å. There are a spread of Nd(1)-O(2) bond distances ranging from 2.28-2.47 Å. Fe(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. There are two shorter (1.91 Å) and two longer (2.25 Å) Fe(1)-O(1) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Nd(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to four equivalent Nd(1) atoms.