Materials Data on In3Pt4 by Materials Project

Abstract

Pt4In3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to four Pt2- and six In+2.67+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.90–3.07 Å. There are a spread of Pt–In bond distances ranging from 2.71–2.94 Å. In the second Pt2- site, Pt2- is bonded in a 6-coordinate geometry to four Pt2- and six In+2.67+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.92–2.97 Å. There are a spread of Pt–In bond distances ranging from 2.76–2.88 Å. In the third Pt2- site, Pt2- is bonded in a 12-coordinate geometry to six Pt2- and six In+2.67+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.78–3.06 Å. There are a spread of Pt–In bond distances ranging from 2.77–3.13 Å. In the fourth Pt2- site, Pt2- is bonded in a 6-coordinate geometry to two Pt2- and six In+2.67+ atoms. There are one shorter (2.83 Å) and one longer (2.84 Å) Pt–Pt bond lengths. There are a spread of Pt–In bond distances ranging from 2.73–2.92 Å. In the fifth Pt2- site, Pt2- is bonded to six Pt2- and six In+2.67+ atoms to form distorted PtIn6Pt6 cuboctahedra that share edges with two equivalent InPt7 hexagonal pyramids. There are one shorter (2.93 Å) and one longer (2.96 Å) Pt–Pt bond lengths. There are a spread of Pt–In bond distances ranging from 2.86–3.15 Å. In the sixth Pt2- site, Pt2- is bonded in a 6-coordinate geometry to five Pt2- and six In+2.67+ atoms. The Pt–Pt bond length is 3.03 Å. There are a spread of Pt–In bond distances ranging from 2.80–3.00 Å. In the seventh Pt2- site, Pt2- is bonded in a 12-coordinate geometry to five Pt2- and seven In+2.67+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.89–3.11 Å. There are a spread of Pt–In bond distances ranging from 2.74–3.22 Å. In the eighth Pt2- site, Pt2- is bonded in a 12-coordinate geometry to five Pt2- and seven In+2.67+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.85–2.96 Å. There are a spread of Pt–In bond distances ranging from 2.78–3.28 Å. In the ninth Pt2- site, Pt2- is bonded in a 6-coordinate geometry to five Pt2- and six In+2.67+ atoms. There are two shorter (2.93 Å) and one longer (3.00 Å) Pt–Pt bond lengths. There are a spread of Pt–In bond distances ranging from 2.79–3.00 Å. In the tenth Pt2- site, Pt2- is bonded in a 6-coordinate geometry to five Pt2- and six In+2.67+ atoms. There are a spread of Pt–In bond distances ranging from 2.77–2.95 Å. In the eleventh Pt2- site, Pt2- is bonded in a 6-coordinate geometry to five Pt2- and six In+2.67+ atoms. There are a spread of Pt–In bond distances ranging from 2.70–2.93 Å. In the twelfth Pt2- site, Pt2- is bonded in a 6-coordinate geometry to four Pt2- and six In+2.67+ atoms. There are a spread of Pt–In bond distances ranging from 2.71–2.94 Å. There are nine inequivalent In+2.67+ sites. In the first In+2.67+ site, In+2.67+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. In the second In+2.67+ site, In+2.67+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. In the third In+2.67+ site, In+2.67+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. In the fourth In+2.67+ site, In+2.67+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. In the fifth In+2.67+ site, In+2.67+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. In the sixth In+2.67+ site, In+2.67+ is bonded in a 10-coordinate geometry to ten Pt2- atoms. In the seventh In+2.67+ site, In+2.67+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the eighth In+2.67+ site, In+2.67+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. In the ninth In+2.67+ site, In+2.67+ is bonded to seven Pt2- atoms to form distorted InPt7 hexagonal pyramids that share edges with two equivalent PtIn6Pt6 cuboctahedra.