Materials Data on LaY(Co4B)2 by Materials Project

Abstract

LaY(Co4B)2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to two equivalent Y and six equivalent Co atoms. Both La–Y bond lengths are 3.43 Å. All La–Co bond lengths are 2.91 Å. Y is bonded in a 12-coordinate geometry to two equivalent La, twelve equivalent Co, and six equivalent B atoms. All Y–Co bond lengths are 2.90 Å. All Y–B bond lengths are 2.91 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Y, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.47 Å. Both Co–B bond lengths are 2.04 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Co atoms. B is bonded in a 6-coordinate geometry to three equivalent Y and six equivalent Co atoms.