DOI: 10.17188/1275133
title: Materials Data on Zn49Pt29 by Materials Project

description: Pt29Zn49 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are fifteen inequivalent Pt sites. In the first Pt site, Pt is bonded in a distorted body-centered cubic geometry to eight Zn atoms. There are four shorter (2.64 Å) and four longer (2.65 Å) Pt–Zn bond lengths. In the second Pt site, Pt is bonded in a 12-coordinate geometry to two equivalent Pt and ten Zn atoms. Both Pt–Pt bond lengths are 2.81 Å. There are a spread of Pt–Zn bond distances ranging from 2.65–2.94 Å. In the third Pt site, Pt is bonded in a 12-coordinate geometry to ten Zn atoms. There are a spread of Pt–Zn bond distances ranging from 2.64–2.89 Å. In the fourth Pt site, Pt is bonded in a 12-coordinate geometry to eight Zn atoms. There are two shorter (2.66 Å) and six longer (2.67 Å) Pt–Zn bond lengths. In the fifth Pt site, Pt is bonded in a 12-coordinate geometry to eight Zn atoms. There are a spread of Pt–Zn bond distances ranging from 2.66–2.68 Å. In the sixth Pt site, Pt is bonded in a 12-coordinate geometry to eight Zn atoms. There are six shorter (2.66 Å) and two longer (2.67 Å) Pt–Zn bond lengths. In the seventh Pt site, Pt is bonded in a 12-coordinate geometry to ten Zn atoms. There are a spread of Pt–Zn bond distances ranging from 2.63–2.89 Å. In the eighth Pt site, Pt is bonded in a 12-coordinate geometry to ten Zn atoms. There are a spread of Pt–Zn bond distances ranging from 2.64–2.82 Å. In the ninth Pt site, Pt is bonded in a 12-coordinate geometry to ten Zn atoms. There are a spread of Pt–Zn bond distances ranging from 2.64–2.80 Å. In the tenth Pt site, Pt is bonded in a 12-coordinate geometry to two equivalent Pt and ten Zn atoms. Both Pt–Pt bond lengths are 2.81 Å. There are a spread of Pt–Zn bond distances ranging from 2.66–3.00 Å. In the eleventh Pt site, Pt is bonded in a 12-coordinate geometry to two equivalent Pt and ten Zn atoms. Both Pt–Pt bond lengths are 2.81 Å. There are a spread of Pt–Zn bond distances ranging from 2.65–2.99 Å. In the twelfth Pt site, Pt is bonded in a 8-coordinate geometry to eight Zn atoms. There are six shorter (2.65 Å) and two longer (2.66 Å) Pt–Zn bond lengths. In the thirteenth Pt site, Pt is bonded in a 12-coordinate geometry to two equivalent Pt and ten Zn atoms. Both Pt–Pt bond lengths are 2.81 Å. There are a spread of Pt–Zn bond distances ranging from 2.65–2.93 Å. In the fourteenth Pt site, Pt is bonded in a 12-coordinate geometry to two equivalent Pt and ten Zn atoms. Both Pt–Pt bond lengths are 2.81 Å. There are a spread of Pt–Zn bond distances ranging from 2.65–2.96 Å. In the fifteenth Pt site, Pt is bonded in a 8-coordinate geometry to eight Zn atoms. There are a spread of Pt–Zn bond distances ranging from 2.65–2.67 Å. There are twenty-seven inequivalent Zn sites. In the first Zn site, Zn is bonded in a 6-coordinate geometry to six Pt and one Zn atom. The Zn–Zn bond length is 2.70 Å. In the second Zn site, Zn is bonded in a 4-coordinate geometry to four Pt and four Zn atoms. Both Zn–Pt bond lengths are 2.64 Å. There are a spread of Zn–Zn bond distances ranging from 2.79–2.88 Å. In the third Zn site, Zn is bonded in a 11-coordinate geometry to six Pt and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.68–2.81 Å. In the fourth Zn site, Zn is bonded in a 11-coordinate geometry to six Pt and five Zn atoms. There are one shorter (2.65 Å) and two longer (2.81 Å) Zn–Zn bond lengths. In the fifth Zn site, Zn is bonded in a 11-coordinate geometry to six Pt and two Zn atoms. There are one shorter (2.66 Å) and one longer (2.72 Å) Zn–Zn bond lengths. In the sixth Zn site, Zn is bonded in a 6-coordinate geometry to six Pt atoms. In the seventh Zn site, Zn is bonded in a 11-coordinate geometry to six Pt and five Zn atoms. There are two shorter (2.81 Å) and one longer (2.89 Å) Zn–Zn bond lengths. In the eighth Zn site, Zn is bonded in a 12-coordinate geometry to six Pt atoms. In the ninth Zn site, Zn is bonded in a 11-coordinate geometry to six Pt and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.69–2.88 Å. In the tenth Zn site, Zn is bonded in a 4-coordinate geometry to four Pt atoms. In the eleventh Zn site, Zn is bonded in a 4-coordinate geometry to four Pt and four Zn atoms. All Zn–Pt bond lengths are 2.64 Å. There are a spread of Zn–Zn bond distances ranging from 2.77–2.93 Å. In the twelfth Zn site, Zn is bonded in a 12-coordinate geometry to six Pt atoms. In the thirteenth Zn site, Zn is bonded in a 4-coordinate geometry to four Pt atoms. In the fourteenth Zn site, Zn is bonded in a 6-coordinate geometry to six Pt and one Zn atom. The Zn–Zn bond length is 2.68 Å. In the fifteenth Zn site, Zn is bonded in a 12-coordinate geometry to six Pt atoms. In the sixteenth Zn site, Zn is bonded in a 11-coordinate geometry to six Pt and five Zn atoms. There are one shorter (2.71 Å) and two longer (2.81 Å) Zn–Zn bond lengths. In the seventeenth Zn site, Zn is bonded in a 11-coordinate geometry to six Pt and two Zn atoms. The Zn–Zn bond length is 2.65 Å. In the eighteenth Zn site, Zn is bonded in a 4-coordinate geometry to four Pt and four Zn atoms. Both Zn–Pt bond lengths are 2.63 Å. There are one shorter (2.79 Å) and two longer (2.84 Å) Zn–Zn bond lengths. In the nineteenth Zn site, Zn is bonded in a 12-coordinate geometry to four Pt atoms. In the twentieth Zn site, Zn is bonded in a 4-coordinate geometry to four Pt atoms. In the twenty-first Zn site, Zn is bonded in a 11-coordinate geometry to six Pt and five Zn atoms. Both Zn–Zn bond lengths are 2.81 Å. In the twenty-second Zn site, Zn is bonded in a 11-coordinate geometry to six Pt and five Zn atoms. Both Zn–Zn bond lengths are 2.81 Å. In the twenty-third Zn site, Zn is bonded in a 6-coordinate geometry to six Pt atoms. In the twenty-fourth Zn site, Zn is bonded in a 4-coordinate geometry to four Pt and four Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.77–2.93 Å. In the twenty-fifth Zn site, Zn is bonded in a 11-coordinate geometry to six Pt and five Zn atoms. Both Zn–Zn bond lengths are 2.81 Å. In the twenty-sixth Zn site, Zn is bonded in a 11-coordinate geometry to six Pt atoms. In the twenty-seventh Zn site, Zn is bonded in a 12-coordinate geometry to four Pt atoms.