Materials Data on SrLaB12 by Materials Project

Abstract

SrLaB12 is Calcium hexaboride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to twenty-four B atoms. All Sr–B bond lengths are 3.07 Å. La is bonded in a 1-coordinate geometry to twenty-four B atoms. All La–B bond lengths are 3.07 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to two equivalent Sr, two equivalent La, and five B atoms. There is one shorter (1.68 Å) and four longer (1.76 Å) B–B bond length. In the second B site, B is bonded in a 1-coordinate geometry to four equivalent Sr and five B atoms. The B–B bond length is 1.69 Å. In the third B site, B is bonded in a 1-coordinate geometry to four equivalent La and five B atoms. The B–B bond length is 1.68 Å.