DOI: 10.17188/1705179
title: Materials Data on Li7Ge12 by Materials Project

description: Li7Ge12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are fourteen inequivalent Li sites. In the first Li site, Li is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.69–3.02 Å. In the second Li site, Li is bonded in a 5-coordinate geometry to seven Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.72–3.13 Å. In the third Li site, Li is bonded in a 6-coordinate geometry to seven Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.81–3.15 Å. In the fourth Li site, Li is bonded in a 4-coordinate geometry to seven Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.74–3.05 Å. In the fifth Li site, Li is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.66–2.94 Å. In the sixth Li site, Li is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.65–2.93 Å. In the seventh Li site, Li is bonded in a 4-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.73–3.05 Å. In the eighth Li site, Li is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.74–3.00 Å. In the ninth Li site, Li is bonded in a 9-coordinate geometry to ten Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.78–3.14 Å. In the tenth Li site, Li is bonded in a 9-coordinate geometry to ten Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.75–3.15 Å. In the eleventh Li site, Li is bonded in a 4-coordinate geometry to seven Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.70–3.22 Å. In the twelfth Li site, Li is bonded in a 4-coordinate geometry to seven Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.69–3.20 Å. In the thirteenth Li site, Li is bonded in a 8-coordinate geometry to nine Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.82–3.21 Å. In the fourteenth Li site, Li is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.57–2.68 Å. There are twenty-four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to seven Li and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.55–2.82 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four Li and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.58–2.73 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Li and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.48–2.66 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four Li and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.49–2.60 Å. In the fifth Ge site, Ge is bonded in a 2-coordinate geometry to four Li and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.50–2.65 Å. In the sixth Ge site, Ge is bonded in a 2-coordinate geometry to four Li and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.51–2.66 Å. In the seventh Ge site, Ge is bonded in a 7-coordinate geometry to four Li and three Ge atoms. The Ge–Ge bond length is 2.49 Å. In the eighth Ge site, Ge is bonded in a 7-coordinate geometry to four Li and three Ge atoms. The Ge–Ge bond length is 2.50 Å. In the ninth Ge site, Ge is bonded in a 1-coordinate geometry to three Li and four Ge atoms. There are one shorter (2.49 Å) and one longer (2.54 Å) Ge–Ge bond lengths. In the tenth Ge site, Ge is bonded in a 8-coordinate geometry to four Li and four Ge atoms. There are one shorter (2.52 Å) and one longer (2.56 Å) Ge–Ge bond lengths. In the eleventh Ge site, Ge is bonded in a 7-coordinate geometry to four Li and three Ge atoms. The Ge–Ge bond length is 2.49 Å. In the twelfth Ge site, Ge is bonded in a 6-coordinate geometry to three Li and three Ge atoms. The Ge–Ge bond length is 2.48 Å. In the thirteenth Ge site, Ge is bonded in a 5-coordinate geometry to one Li and four Ge atoms. There are one shorter (2.48 Å) and one longer (2.49 Å) Ge–Ge bond lengths. In the fourteenth Ge site, Ge is bonded in a 5-coordinate geometry to one Li and four Ge atoms. There are one shorter (2.48 Å) and one longer (2.49 Å) Ge–Ge bond lengths. In the fifteenth Ge site, Ge is bonded in a 2-coordinate geometry to two Li and four Ge atoms. There are one shorter (2.55 Å) and one longer (2.56 Å) Ge–Ge bond lengths. In the sixteenth Ge site, Ge is bonded in a 9-coordinate geometry to seven Li and two Ge atoms. The Ge–Ge bond length is 2.55 Å. In the seventeenth Ge site, Ge is bonded in a 9-coordinate geometry to seven Li and two Ge atoms. The Ge–Ge bond length is 2.56 Å. In the eighteenth Ge site, Ge is bonded in a 6-coordinate geometry to two Li and four Ge atoms. The Ge–Ge bond length is 2.51 Å. In the nineteenth Ge site, Ge is bonded in a 6-coordinate geometry to two Li and four Ge atoms. The Ge–Ge bond length is 2.51 Å. In the twentieth Ge site, Ge is bonded in a 7-coordinate geometry to four Li and three Ge atoms. The Ge–Ge bond length is 2.50 Å. In the twenty-first Ge site, Ge is bonded in a 7-coordinate geometry to four Li and three Ge atoms. The Ge–Ge bond length is 2.49 Å. In the twenty-second Ge site, Ge is bonded in a 10-coordinate geometry to seven Li and three Ge atoms. In the twenty-third Ge site, Ge is bonded in a 9-coordinate geometry to six Li and three Ge atoms. In the twenty-fourth Ge site, Ge is bonded in a distorted hexagonal planar geometry to two Li and four Ge atoms.