Materials Data on In9Ag17 by Materials Project

Abstract

Ag17In9 is gamma-brass-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are twenty-three inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to six Ag and six In atoms. There are a spread of Ag–Ag bond distances ranging from 2.90–3.09 Å. There are a spread of Ag–In bond distances ranging from 2.97–3.01 Å. In the second Ag site, Ag is bonded in a 12-coordinate geometry to six Ag and six In atoms. There are a spread of Ag–Ag bond distances ranging from 2.89–3.09 Å. There are a spread of Ag–In bond distances ranging from 2.97–3.02 Å. In the third Ag site, Ag is bonded in a 12-coordinate geometry to six Ag and six In atoms. There are a spread of Ag–Ag bond distances ranging from 2.91–3.09 Å. There are a spread of Ag–In bond distances ranging from 2.97–3.03 Å. In the fourth Ag site, Ag is bonded in a 12-coordinate geometry to nine Ag and three In atoms. There are a spread of Ag–Ag bond distances ranging from 2.95–3.00 Å. All Ag–In bond lengths are 3.02 Å. In the fifth Ag site, Ag is bonded in a 12-coordinate geometry to eight Ag and four In atoms. There are a spread of Ag–Ag bond distances ranging from 2.94–3.01 Å. There are a spread of Ag–In bond distances ranging from 2.98–3.04 Å. In the sixth Ag site, Ag is bonded in a 12-coordinate geometry to seven Ag and five In atoms. There are a spread of Ag–Ag bond distances ranging from 2.95–3.01 Å. There are a spread of Ag–In bond distances ranging from 2.96–3.05 Å. In the seventh Ag site, Ag is bonded in a 11-coordinate geometry to five Ag and six In atoms. There are a spread of Ag–Ag bond distances ranging from 2.96–3.23 Å. There are a spread of Ag–In bond distances ranging from 2.87–3.05 Å. In the eighth Ag site, Ag is bonded in a 11-coordinate geometry to six Ag and five In atoms. There are a spread of Ag–Ag bond distances ranging from 2.86–3.23 Å. There are a spread of Ag–In bond distances ranging from 2.95–2.99 Å. In the ninth Ag site, Ag is bonded in a 11-coordinate geometry to five Ag and six In atoms. There are a spread of Ag–Ag bond distances ranging from 2.98–3.24 Å. There are a spread of Ag–In bond distances ranging from 2.89–3.06 Å. In the tenth Ag site, Ag is bonded in a 11-coordinate geometry to six Ag and five In atoms. There are a spread of Ag–Ag bond distances ranging from 2.87–3.23 Å. There are a spread of Ag–In bond distances ranging from 2.95–3.01 Å. In the eleventh Ag site, Ag is bonded in a 11-coordinate geometry to five Ag and six In atoms. There are a spread of Ag–Ag bond distances ranging from 2.89–3.23 Å. There are a spread of Ag–In bond distances ranging from 2.96–3.21 Å. In the twelfth Ag site, Ag is bonded in a 11-coordinate geometry to five Ag and six In atoms. There are a spread of Ag–Ag bond distances ranging from 2.89–3.24 Å. There are a spread of Ag–In bond distances ranging from 2.96–3.20 Å. In the thirteenth Ag site, Ag is bonded in a 11-coordinate geometry to six Ag and five In atoms. There are a spread of Ag–Ag bond distances ranging from 2.87–3.22 Å. There are a spread of Ag–In bond distances ranging from 2.95–3.01 Å. In the fourteenth Ag site, Ag is bonded in a 12-coordinate geometry to seven Ag and five In atoms. The Ag–Ag bond length is 3.10 Å. There are a spread of Ag–In bond distances ranging from 2.89–3.12 Å. In the fifteenth Ag site, Ag is bonded in a 12-coordinate geometry to eight Ag and four In atoms. Both Ag–Ag bond lengths are 3.10 Å. There are a spread of Ag–In bond distances ranging from 2.86–3.11 Å. In the sixteenth Ag site, Ag is bonded in a 3-coordinate geometry to nine Ag and three In atoms. There are one shorter (3.09 Å) and two longer (3.10 Å) Ag–Ag bond lengths. All Ag–In bond lengths are 2.87 Å. In the seventeenth Ag site, Ag is bonded in a 4-coordinate geometry to seven Ag and six In atoms. The Ag–Ag bond length is 2.91 Å. There are a spread of Ag–In bond distances ranging from 2.90–3.27 Å. In the eighteenth Ag site, Ag is bonded in a 4-coordinate geometry to seven Ag and six In atoms. The Ag–Ag bond length is 2.88 Å. There are a spread of Ag–In bond distances ranging from 2.92–3.26 Å. In the nineteenth Ag site, Ag is bonded in a 4-coordinate geometry to seven Ag and six In atoms. There are a spread of Ag–In bond distances ranging from 2.89–3.25 Å. In the twentieth Ag site, Ag is bonded in a 4-coordinate geometry to seven Ag and six In atoms. There are a spread of Ag–In bond distances ranging from 2.91–3.27 Å. In the twenty-first Ag site, Ag is bonded in a 9-coordinate geometry to nine Ag and four In atoms. The Ag–Ag bond length is 2.91 Å. There are two shorter (3.16 Å) and two longer (3.18 Å) Ag–In bond lengths. In the twenty-second Ag site, Ag is bonded in a 1-coordinate geometry to eight Ag and five In atoms. There are a spread of Ag–In bond distances ranging from 2.88–3.21 Å. In the twenty-third Ag site, Ag is bonded in a 9-coordinate geometry to nine Ag and four In atoms. All Ag–In bond lengths are 3.17 Å. There are eleven inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to eleven Ag atoms. In the second In site, In is bonded in a 11-coordinate geometry to eleven Ag atoms. In the third In site, In is bonded in a 11-coordinate geometry to ten Ag and one In atom. The In–In bond length is 3.25 Å. In the fourth In site, In is bonded in a 11-coordinate geometry to ten Ag and one In atom. The In–In bond length is 3.22 Å. In the fifth In site, In is bonded in a 11-coordinate geometry to eleven Ag atoms. In the sixth In site, In is bonded in a 11-coordinate geometry to ten Ag and one In atom. The In–In bond length is 3.25 Å. In the seventh In site, In is bonded in a 11-coordinate geometry to nine Ag and two equivalent In atoms. Both In–In bond lengths are 3.21 Å. In the eighth In site, In is bonded in a 9-coordinate geometry to nine Ag and four In atoms. In the ninth In site, In is bonded in a 9-coordinate geometry to nine Ag atoms. In the tenth In site, In is bonded in a 9-coordinate geometry to nine Ag atoms. In the eleventh In site, In is bonded in a 9-coordinate geometry to nine Ag atoms.