DOI: 10.17188/1680703
title: Materials Data on K3(InAu)8 by Materials Project

description: K3(AuIn)8 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 12-coordinate geometry to two equivalent K, eight Au, and six In atoms. There are one shorter (2.94 Å) and one longer (2.95 Å) K–K bond lengths. There are a spread of K–Au bond distances ranging from 3.48–4.07 Å. There are a spread of K–In bond distances ranging from 3.72–4.02 Å. In the second K site, K is bonded in a 2-coordinate geometry to eight Au and six In atoms. There are a spread of K–Au bond distances ranging from 3.50–4.08 Å. There are a spread of K–In bond distances ranging from 3.70–4.02 Å. In the third K site, K is bonded in a 12-coordinate geometry to two equivalent K, eight Au, and six In atoms. There are a spread of K–Au bond distances ranging from 3.47–4.07 Å. There are a spread of K–In bond distances ranging from 3.71–4.04 Å. There are twelve inequivalent Au sites. In the first Au site, Au is bonded in a 5-coordinate geometry to three K, one Au, and five In atoms. The Au–Au bond length is 2.88 Å. There are a spread of Au–In bond distances ranging from 2.79–3.02 Å. In the second Au site, Au is bonded in a 8-coordinate geometry to two equivalent K, one Au, and five In atoms. The Au–Au bond length is 2.84 Å. There are a spread of Au–In bond distances ranging from 2.79–3.05 Å. In the third Au site, Au is bonded in a 5-coordinate geometry to four K, one Au, and five In atoms. The Au–Au bond length is 2.88 Å. There are a spread of Au–In bond distances ranging from 2.80–3.03 Å. In the fourth Au site, Au is bonded in a 9-coordinate geometry to three K, one Au, and five In atoms. The Au–Au bond length is 2.87 Å. There are a spread of Au–In bond distances ranging from 2.79–3.05 Å. In the fifth Au site, Au is bonded in a 5-coordinate geometry to two equivalent K, one Au, and five In atoms. The Au–Au bond length is 2.84 Å. There are a spread of Au–In bond distances ranging from 2.79–3.02 Å. In the sixth Au site, Au is bonded in a 5-coordinate geometry to four K, one Au, and five In atoms. The Au–Au bond length is 2.88 Å. There are a spread of Au–In bond distances ranging from 2.79–3.04 Å. In the seventh Au site, Au is bonded in a 6-coordinate geometry to three K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.77–3.06 Å. In the eighth Au site, Au is bonded in a 7-coordinate geometry to four K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.76–3.07 Å. In the ninth Au site, Au is bonded in a 7-coordinate geometry to two equivalent K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.77–3.08 Å. In the tenth Au site, Au is bonded in a 7-coordinate geometry to three K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.77–3.08 Å. In the eleventh Au site, Au is bonded in a 7-coordinate geometry to four K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.77–3.07 Å. In the twelfth Au site, Au is bonded in a 5-coordinate geometry to two equivalent K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.76–3.06 Å. There are twelve inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to three K and five Au atoms. In the second In site, In is bonded in a 5-coordinate geometry to two equivalent K and five Au atoms. In the third In site, In is bonded in a 5-coordinate geometry to four K and five Au atoms. In the fourth In site, In is bonded in a 5-coordinate geometry to three K and five Au atoms. In the fifth In site, In is bonded in a 5-coordinate geometry to two equivalent K and five Au atoms. In the sixth In site, In is bonded in a 5-coordinate geometry to four K and five Au atoms. In the seventh In site, In is bonded in a 5-coordinate geometry to two K and five Au atoms. In the eighth In site, In is bonded in a 5-coordinate geometry to two equivalent K and five Au atoms. In the ninth In site, In is bonded in a 5-coordinate geometry to five Au atoms. In the tenth In site, In is bonded in a 5-coordinate geometry to one K and five Au atoms. In the eleventh In site, In is bonded in a 5-coordinate geometry to two equivalent K and five Au atoms. In the twelfth In site, In is bonded in a 5-coordinate geometry to two equivalent K and five Au atoms.