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Materials Data on Nd(BC)2 by Materials Project

NdB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd2+ is bonded in a body-centered cubic geometry to eight equivalent C4- atoms. All Nd–C bond lengths are 2.79 Å. B3+ is bonded in a distorted trigonal planar geometry to three equivalent C4- atoms. There is one shorter (1.54 Å) and two longer (1.62 Å) B–C bond length. C4- is bonded in a 3-coordinate geometry to four equivalent Nd2+ and three equivalent B3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Nd2BC by Materials Project

Nd2BC is Krennerite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Nd2BC sheet oriented in the (2, 0, -1) direction. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 3-coordinate geometry to three equivalent C3- atoms. There are one shorter (2.46 Å) and two longer (2.57 Å) Nd–C bond lengths. In the second Nd3+ site, Nd3+ is bonded in a 2-coordinate geometry to four equivalent B3- and two equivalent C3- atoms. There are two shorter (2.71 Å) and two longer (2.89 Å) Nd–B bond lengths. Both Nd–C bond lengths are 2.61 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Nd3+ and one C3- atom. The B–C bond length is 1.50 Å. C3- is bonded to five Nd3+ and one B3- atom to form distorted edge-sharing CNd5B octahedra.

36 MATERIALS SCIENCE↗