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DOE OSTI · 1309173

Materials Data on ScB2C by Materials Project

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Abstract

ScB2C crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Sc3+ is bonded in a 4-coordinate geometry to four equivalent C3- atoms. There are two shorter (2.45 Å) and two longer (2.46 Å) Sc–C bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a distorted water-like geometry to two equivalent C3- atoms. There is one shorter (1.60 Å) and one longer (1.61 Å) B–C bond length. In the second B site, B is bonded in a distorted single-bond geometry to one C3- atom. The B–C bond length is 1.57 Å. C3- is bonded in a 7-coordinate geometry to four equivalent Sc3+ and three B atoms.

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36 MATERIALS SCIENCEB-C-Sccrystal structureScB2C

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2020-07-23. Materials Data on ScB2C by Materials Project. https://doi.org/10.17188/1309173

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36 MATERIALS SCIENCE↗