Materials Data on ZnAg by Materials Project

Abstract

AgZn crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nine inequivalent Ag sites. In the first Ag site, Ag is bonded in a 4-coordinate geometry to four Ag and four Zn atoms. There are a spread of Ag–Ag bond distances ranging from 2.95–3.04 Å. There are a spread of Ag–Zn bond distances ranging from 2.68–2.78 Å. In the second Ag site, Ag is bonded in a 4-coordinate geometry to two equivalent Ag and four Zn atoms. There are one shorter (2.96 Å) and one longer (3.06 Å) Ag–Ag bond lengths. There are a spread of Ag–Zn bond distances ranging from 2.65–2.77 Å. In the third Ag site, Ag is bonded in a 4-coordinate geometry to six Ag and four Zn atoms. There are a spread of Ag–Ag bond distances ranging from 2.95–3.06 Å. There are a spread of Ag–Zn bond distances ranging from 2.65–2.76 Å. In the fourth Ag site, Ag is bonded in a 8-coordinate geometry to four Ag and nine Zn atoms. Both Ag–Ag bond lengths are 2.90 Å. There are a spread of Ag–Zn bond distances ranging from 2.74–3.21 Å. In the fifth Ag site, Ag is bonded in a 6-coordinate geometry to six Zn atoms. There are a spread of Ag–Zn bond distances ranging from 2.71–2.90 Å. In the sixth Ag site, Ag is bonded in a 8-coordinate geometry to eight Zn atoms. There are a spread of Ag–Zn bond distances ranging from 2.67–2.90 Å. In the seventh Ag site, Ag is bonded in a 6-coordinate geometry to six Ag and seven Zn atoms. Both Ag–Ag bond lengths are 2.90 Å. There are a spread of Ag–Zn bond distances ranging from 2.70–3.18 Å. In the eighth Ag site, Ag is bonded in a 12-coordinate geometry to four Ag and nine Zn atoms. Both Ag–Ag bond lengths are 2.90 Å. There are a spread of Ag–Zn bond distances ranging from 2.67–3.07 Å. In the ninth Ag site, Ag is bonded in a 6-coordinate geometry to six Ag and seven Zn atoms. Both Ag–Ag bond lengths are 2.90 Å. There are a spread of Ag–Zn bond distances ranging from 2.68–3.26 Å. There are nine inequivalent Zn sites. In the first Zn site, Zn is bonded in a 11-coordinate geometry to seven Ag and four Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.69–2.90 Å. In the second Zn site, Zn is bonded in a 11-coordinate geometry to eight Ag and three Zn atoms. There are one shorter (2.78 Å) and two longer (2.90 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 11-coordinate geometry to five Ag and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.73–2.90 Å. In the fourth Zn site, Zn is bonded in a 11-coordinate geometry to seven Ag and four Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.77–2.90 Å. In the fifth Zn site, Zn is bonded to six Ag and six Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnZn6Ag6 cuboctahedra. There are one shorter (2.70 Å) and two longer (2.90 Å) Zn–Zn bond lengths. In the sixth Zn site, Zn is bonded to six Ag and six Zn atoms to form a mixture of face and corner-sharing ZnZn6Ag6 cuboctahedra. There are one shorter (2.69 Å) and two longer (2.90 Å) Zn–Zn bond lengths. In the seventh Zn site, Zn is bonded to six Ag and six Zn atoms to form a mixture of face, edge, and corner-sharing ZnZn6Ag6 cuboctahedra. There are one shorter (2.64 Å) and two longer (2.90 Å) Zn–Zn bond lengths. In the eighth Zn site, Zn is bonded in a 8-coordinate geometry to six Ag and one Zn atom. In the ninth Zn site, Zn is bonded in a 4-coordinate geometry to seven Ag and four Zn atoms. Both Zn–Zn bond lengths are 2.90 Å.