Materials Data on Sr4SiP4 by Materials Project
Sr4SiP4 crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to one Si4- and six P1- atoms. The Sr–Si bond length is 3.15 Å. There are three shorter (3.15 Å) and three longer (3.22 Å) Sr–P bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to one Si4- and six P1- atoms. The Sr–Si bond length is 3.13 Å. There are a spread of Sr–P bond distances ranging from 3.11–3.23 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a distorted tetrahedral geometry to four equivalent Sr2+ and four equivalent P1- atoms. All Si–P bond lengths are 2.29 Å. In the second Si4- site, Si4- is bonded in a distorted tetrahedral geometry to four equivalent Sr2+ and four equivalent P1- atoms. All Si–P bond lengths are 2.28 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a 7-coordinate geometry to six Sr2+ and one Si4- atom. In the second P1- site, P1- is bonded in a 7-coordinate geometry to six Sr2+ and one Si4- atom.