Materials Data on NdBN2 by Materials Project
NdBN2 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Nd3+ is bonded to seven N3- atoms to form a mixture of distorted edge, face, and corner-sharing NdN7 pentagonal bipyramids. There are a spread of Nd–N bond distances ranging from 2.50–2.69 Å. B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.47 Å) and one longer (1.48 Å) B–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent Nd3+ and two equivalent B3+ atoms. In the second N3- site, N3- is bonded in a distorted single-bond geometry to five equivalent Nd3+ and one B3+ atom.
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