Materials Data on CaSb2 by Materials Project

Abstract

CaSb2 is Zirconium Disilicide structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ca2+ is bonded in a 10-coordinate geometry to ten Sb1- atoms. There are a spread of Ca–Sb bond distances ranging from 3.27–3.78 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 8-coordinate geometry to four equivalent Ca2+ and four equivalent Sb1- atoms. There are two shorter (3.00 Å) and two longer (3.41 Å) Sb–Sb bond lengths. In the second Sb1- site, Sb1- is bonded in a 4-coordinate geometry to six equivalent Ca2+ and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 3.01 Å.