Materials Data on LiGdSn by Materials Project

LiGdSn crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to six Gd and four Sn atoms. There are a spread of Li–Gd bond distances ranging from 3.16–3.48 Å. There are a spread of Li–Sn bond distances ranging from 2.73–3.26 Å. In the second Li site, Li is bonded in a 3-coordinate geometry to six Gd and four Sn atoms. There are a spread of Li–Gd bond distances ranging from 3.17–3.48 Å. There are a spread of Li–Sn bond distances ranging from 2.72–3.27 Å. In the third Li site, Li is bonded in a 4-coordinate geometry to six Gd and four Sn atoms. There are three shorter (3.21 Å) and three longer (3.52 Å) Li–Gd bond lengths. There are three shorter (2.77 Å) and one longer (2.95 Å) Li–Sn bond lengths. In the fourth Li site, Li is bonded in a 4-coordinate geometry to six Gd and four Sn atoms. There are three shorter (3.21 Å) and three longer (3.52 Å) Li–Gd bond lengths. There are three shorter (2.76 Å) and one longer (2.96 Å) Li–Sn bond lengths. There are four inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to six Li and six Sn atoms. There are a spread of Gd–Sn bond distances ranging from 3.23–3.40 Å. In the second Gd site, Gd is bonded in a 12-coordinate geometry to six Li and six Sn atoms. There are a spread of Gd–Sn bond distances ranging from 3.23–3.40 Å. In the third Gd site, Gd is bonded in a 12-coordinate geometry to six Li and six Sn atoms. There are three shorter (3.21 Å) and three longer (3.41 Å) Gd–Sn bond lengths. In the fourth Gd site, Gd is bonded in a 12-coordinate geometry to six Li and six Sn atoms. There are three shorter (3.21 Å) and three longer (3.41 Å) Gd–Sn bond lengths. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 3-coordinate geometry to four Li and six Gd atoms. In the second Sn site, Sn is bonded in a 3-coordinate geometry to four Li and six Gd atoms. In the third Sn site, Sn is bonded in a 4-coordinate geometry to four Li and six Gd atoms. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to four Li and six Gd atoms.