Materials Data on SrC20 by Materials Project

Abstract

SrC20 is Iron Boride-like structured and crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Sr2+ is bonded in a 2-coordinate geometry to ten C+0.10- atoms. There are a spread of Sr–C bond distances ranging from 3.01–3.16 Å. There are six inequivalent C+0.10- sites. In the first C+0.10- site, C+0.10- is bonded in a 4-coordinate geometry to one Sr2+ and three C+0.10- atoms. There is one shorter (1.43 Å) and two longer (1.45 Å) C–C bond length. In the second C+0.10- site, C+0.10- is bonded in a trigonal planar geometry to three C+0.10- atoms. There is one shorter (1.43 Å) and two longer (1.44 Å) C–C bond length. In the third C+0.10- site, C+0.10- is bonded in a distorted trigonal planar geometry to three C+0.10- atoms. There are a spread of C–C bond distances ranging from 1.42–1.45 Å. In the fourth C+0.10- site, C+0.10- is bonded in a 3-coordinate geometry to one Sr2+ and three C+0.10- atoms. There is one shorter (1.42 Å) and two longer (1.45 Å) C–C bond length. In the fifth C+0.10- site, C+0.10- is bonded in a distorted trigonal planar geometry to one Sr2+ and three C+0.10- atoms. In the sixth C+0.10- site, C+0.10- is bonded in a distorted trigonal planar geometry to three C+0.10- atoms.