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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdB4 by Materials Project

NdB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eighteen B atoms. There are a spread of Nd–B bond distances ranging from 2.78–3.12 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Nd and five B atoms. There are a spread of B–B bond distances ranging from 1.76–1.83 Å. In the second B site, B is bonded in a distorted trigonal planar geometry to six equivalent Nd and three B atoms. The B–B bond length is 1.80 Å. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Nd and five B atoms. The B–B bond length is 1.69 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdB4 by Materials Project

NdB4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent B atoms to form a mixture of face and edge-sharing NdB12 cuboctahedra. There are a spread of Nd–B bond distances ranging from 2.60–2.84 Å. B is bonded in a 5-coordinate geometry to three equivalent Nd and two equivalent B atoms. There is one shorter (1.67 Å) and one longer (1.70 Å) B–B bond length.

36 MATERIALS SCIENCE↗