Materials Data on Th2MnN3 by Materials Project
Th2MnN3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Th is bonded to seven N atoms to form a mixture of distorted corner, edge, and face-sharing ThN7 pentagonal bipyramids. There are a spread of Th–N bond distances ranging from 2.45–2.63 Å. Mn is bonded in a square co-planar geometry to four N atoms. There are two shorter (1.93 Å) and two longer (2.07 Å) Mn–N bond lengths. There are two inequivalent N sites. In the first N site, N is bonded to four equivalent Th and two equivalent Mn atoms to form NTh4Mn2 octahedra that share corners with fourteen NTh4Mn2 octahedra, edges with two equivalent NTh4Mn2 octahedra, and faces with four equivalent NTh5Mn octahedra. The corner-sharing octahedra tilt angles range from 0–58°. In the second N site, N is bonded to five equivalent Th and one Mn atom to form NTh5Mn octahedra that share corners with eleven NTh4Mn2 octahedra, edges with eight equivalent NTh5Mn octahedra, and faces with two equivalent NTh4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–58°.