Materials Data on NpB2C by Materials Project
NpB2C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Np4+ sites. In the first Np4+ site, Np4+ is bonded to six equivalent C4- atoms to form distorted corner-sharing NpC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Np–C bond lengths are 2.59 Å. In the second Np4+ site, Np4+ is bonded in a 3-coordinate geometry to three equivalent C4- atoms. All Np–C bond lengths are 2.44 Å. B is bonded in a distorted single-bond geometry to one C4- atom. The B–C bond length is 1.50 Å. C4- is bonded to four Np4+ and two equivalent B atoms to form a mixture of distorted corner and edge-sharing CNp4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–78°.
36 MATERIALS SCIENCE↗