Materials Data on Ga5Ag13 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1737044· OSTI ID:1737044

Ag13Ga5 is zeta silver zinc-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are thirteen inequivalent Ag sites. In the first Ag site, Ag is bonded in a 2-coordinate geometry to six Ag and two Ga atoms. There are a spread of Ag–Ag bond distances ranging from 2.88–3.09 Å. There are one shorter (2.72 Å) and one longer (2.75 Å) Ag–Ga bond lengths. In the second Ag site, Ag is bonded in a 12-coordinate geometry to eight Ag and four Ga atoms. There are a spread of Ag–Ag bond distances ranging from 2.97–3.04 Å. There are a spread of Ag–Ga bond distances ranging from 2.76–2.84 Å. In the third Ag site, Ag is bonded in a 2-coordinate geometry to eight Ag and two Ga atoms. There are a spread of Ag–Ag bond distances ranging from 2.88–3.10 Å. There are one shorter (2.70 Å) and one longer (2.79 Å) Ag–Ga bond lengths. In the fourth Ag site, Ag is bonded in a 12-coordinate geometry to two equivalent Ag and four Ga atoms. There are one shorter (2.98 Å) and one longer (2.99 Å) Ag–Ag bond lengths. There are a spread of Ag–Ga bond distances ranging from 2.74–2.84 Å. In the fifth Ag site, Ag is bonded in a 2-coordinate geometry to eight Ag and two Ga atoms. There are a spread of Ag–Ag bond distances ranging from 2.90–3.05 Å. There are one shorter (2.70 Å) and one longer (2.76 Å) Ag–Ga bond lengths. In the sixth Ag site, Ag is bonded in a 12-coordinate geometry to two equivalent Ag and four Ga atoms. Both Ag–Ag bond lengths are 3.01 Å. There are a spread of Ag–Ga bond distances ranging from 2.73–2.87 Å. In the seventh Ag site, Ag is bonded in a 12-coordinate geometry to eight Ag and four Ga atoms. Both Ag–Ag bond lengths are 2.97 Å. There are a spread of Ag–Ga bond distances ranging from 2.75–2.86 Å. In the eighth Ag site, Ag is bonded in a 12-coordinate geometry to nine Ag and three Ga atoms. There are one shorter (2.82 Å) and two longer (2.97 Å) Ag–Ag bond lengths. There are a spread of Ag–Ga bond distances ranging from 2.73–2.83 Å. In the ninth Ag site, Ag is bonded in a 12-coordinate geometry to nine Ag and three Ga atoms. There are one shorter (2.84 Å) and two longer (2.97 Å) Ag–Ag bond lengths. There are a spread of Ag–Ga bond distances ranging from 2.71–2.82 Å. In the tenth Ag site, Ag is bonded in a 12-coordinate geometry to two equivalent Ag and four Ga atoms. There are a spread of Ag–Ga bond distances ranging from 2.73–2.84 Å. In the eleventh Ag site, Ag is bonded in a 12-coordinate geometry to nine Ag and three Ga atoms. There are one shorter (2.83 Å) and two longer (2.97 Å) Ag–Ag bond lengths. There are a spread of Ag–Ga bond distances ranging from 2.72–2.85 Å. In the twelfth Ag site, Ag is bonded in a 12-coordinate geometry to four Ga atoms. There are a spread of Ag–Ga bond distances ranging from 2.75–2.86 Å. In the thirteenth Ag site, Ag is bonded in a 11-coordinate geometry to eleven Ag atoms. Both Ag–Ag bond lengths are 2.97 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to nine Ag and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.97 Å. In the second Ga site, Ga is bonded in a 11-coordinate geometry to nine Ag and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.97 Å. In the third Ga site, Ga is bonded in a 11-coordinate geometry to nine Ag and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.97 Å. In the fourth Ga site, Ga is bonded in a 8-coordinate geometry to six Ag atoms. In the fifth Ga site, Ga is bonded in a 8-coordinate geometry to six Ag atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1737044
• Report Number(s): mp-1224870
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ag-Ga
Ga5Ag13
crystal structure