DOI: 10.17188/1691255
title: Materials Data on Yb20Zn30Ge31 by Materials Project

description: Yb20Zn30Ge31 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are ten inequivalent Yb sites. In the first Yb site, Yb is bonded in a 10-coordinate geometry to five Zn and six Ge atoms. There are a spread of Yb–Zn bond distances ranging from 3.05–3.30 Å. There are a spread of Yb–Ge bond distances ranging from 3.05–3.15 Å. In the second Yb site, Yb is bonded in a 12-coordinate geometry to six Zn and six Ge atoms. There are a spread of Yb–Zn bond distances ranging from 3.10–3.28 Å. There are a spread of Yb–Ge bond distances ranging from 3.04–3.18 Å. In the third Yb site, Yb is bonded in a 12-coordinate geometry to six Zn and eight Ge atoms. There are a spread of Yb–Zn bond distances ranging from 3.10–3.28 Å. There are a spread of Yb–Ge bond distances ranging from 3.04–3.61 Å. In the fourth Yb site, Yb is bonded in a 12-coordinate geometry to six Zn and eight Ge atoms. There are a spread of Yb–Zn bond distances ranging from 3.10–3.32 Å. There are a spread of Yb–Ge bond distances ranging from 3.04–3.59 Å. In the fifth Yb site, Yb is bonded in a 12-coordinate geometry to six Zn and six Ge atoms. There are a spread of Yb–Zn bond distances ranging from 3.10–3.28 Å. There are a spread of Yb–Ge bond distances ranging from 3.04–3.18 Å. In the sixth Yb site, Yb is bonded in a 6-coordinate geometry to two equivalent Zn and six Ge atoms. Both Yb–Zn bond lengths are 3.41 Å. There are a spread of Yb–Ge bond distances ranging from 3.02–3.17 Å. In the seventh Yb site, Yb is bonded in a 6-coordinate geometry to two equivalent Zn and six Ge atoms. Both Yb–Zn bond lengths are 3.41 Å. There are a spread of Yb–Ge bond distances ranging from 3.03–3.17 Å. In the eighth Yb site, Yb is bonded in a 6-coordinate geometry to two equivalent Zn and six Ge atoms. Both Yb–Zn bond lengths are 3.41 Å. There are a spread of Yb–Ge bond distances ranging from 3.03–3.17 Å. In the ninth Yb site, Yb is bonded in a 6-coordinate geometry to seven Zn and seven Ge atoms. There are a spread of Yb–Zn bond distances ranging from 3.38–3.46 Å. There are a spread of Yb–Ge bond distances ranging from 3.01–3.37 Å. In the tenth Yb site, Yb is bonded in a 6-coordinate geometry to two equivalent Zn and six Ge atoms. Both Yb–Zn bond lengths are 3.37 Å. There are a spread of Yb–Ge bond distances ranging from 3.03–3.17 Å. There are fifteen inequivalent Zn sites. In the first Zn site, Zn is bonded in a 4-coordinate geometry to five Yb, one Zn, and four Ge atoms. The Zn–Zn bond length is 2.66 Å. There are a spread of Zn–Ge bond distances ranging from 2.50–2.67 Å. In the second Zn site, Zn is bonded in a 4-coordinate geometry to five Yb, one Zn, and four Ge atoms. The Zn–Zn bond length is 2.69 Å. There are a spread of Zn–Ge bond distances ranging from 2.51–2.67 Å. In the third Zn site, Zn is bonded in a 4-coordinate geometry to five Yb, one Zn, and four Ge atoms. The Zn–Zn bond length is 2.69 Å. There are a spread of Zn–Ge bond distances ranging from 2.51–2.67 Å. In the fourth Zn site, Zn is bonded in a 4-coordinate geometry to five Yb, one Zn, and four Ge atoms. The Zn–Zn bond length is 2.55 Å. There are a spread of Zn–Ge bond distances ranging from 2.47–2.65 Å. In the fifth Zn site, Zn is bonded in a 4-coordinate geometry to five Yb, one Zn, and four Ge atoms. The Zn–Zn bond length is 2.69 Å. There are a spread of Zn–Ge bond distances ranging from 2.51–2.67 Å. In the sixth Zn site, Zn is bonded in a 4-coordinate geometry to one Zn and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.54–2.77 Å. In the seventh Zn site, Zn is bonded in a 4-coordinate geometry to one Yb, one Zn, and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.54–2.75 Å. In the eighth Zn site, Zn is bonded in a 4-coordinate geometry to one Yb, one Zn, and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.54–2.76 Å. In the ninth Zn site, Zn is bonded in a 10-coordinate geometry to three Yb, one Zn, and six Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.63–2.82 Å. In the tenth Zn site, Zn is bonded in a 4-coordinate geometry to one Yb, one Zn, and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.54–2.76 Å. In the eleventh Zn site, Zn is bonded in a 4-coordinate geometry to two equivalent Yb and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.51–2.77 Å. In the twelfth Zn site, Zn is bonded in a 4-coordinate geometry to two equivalent Yb and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.51–2.77 Å. In the thirteenth Zn site, Zn is bonded in a 4-coordinate geometry to two equivalent Yb and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.51–2.77 Å. In the fourteenth Zn site, Zn is bonded in a 3-coordinate geometry to five Yb and five Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.50–2.87 Å. In the fifteenth Zn site, Zn is bonded in a 4-coordinate geometry to two equivalent Yb and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.51–2.77 Å. There are sixteen inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Yb and six Zn atoms. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Yb and four Zn atoms. In the third Ge site, Ge is bonded in a 7-coordinate geometry to four Yb and four Zn atoms. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to three Yb and four Zn atoms. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to four Yb and four Zn atoms. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to three Yb and four Zn atoms. In the seventh Ge site, Ge is bonded in a 9-coordinate geometry to four Yb and six Zn atoms. In the eighth Ge site, Ge is bonded in a 9-coordinate geometry to three Yb and six Zn atoms. In the ninth Ge site, Ge is bonded in a 9-coordinate geometry to three Yb and six Zn atoms. In the tenth Ge site, Ge is bonded in a 9-coordinate geometry to three Yb and six Zn atoms. In the eleventh Ge site, Ge is bonded in a 9-coordinate geometry to four Yb and six Zn atoms. In the twelfth Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two Zn, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the thirteenth Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two Zn, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the fourteenth Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two Zn, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the fifteenth Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two Zn, and one Ge atom. In the sixteenth Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two Zn, and one Ge atom.