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Title: Materials Data on Ag3Sb by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1198932· OSTI ID:1198932

Ag3Sb crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 12-coordinate geometry to eight Ag1+ and four equivalent Sb3- atoms. There are a spread of Ag–Ag bond distances ranging from 2.96–3.26 Å. All Ag–Sb bond lengths are 3.04 Å. In the second Ag1+ site, Ag1+ is bonded in a 12-coordinate geometry to ten Ag1+ and two equivalent Sb3- atoms. There are four shorter (3.01 Å) and two longer (3.26 Å) Ag–Ag bond lengths. Both Ag–Sb bond lengths are 3.00 Å. In the third Ag1+ site, Ag1+ is bonded in a 12-coordinate geometry to six Ag1+ and four equivalent Sb3- atoms. There are two shorter (3.03 Å) and two longer (3.08 Å) Ag–Sb bond lengths. Sb3- is bonded to ten Ag1+ and two equivalent Sb3- atoms to form a mixture of distorted face, edge, and corner-sharing SbAg10Sb2 cuboctahedra. Both Sb–Sb bond lengths are 3.26 Å.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1198932
Report Number(s):
mp-2273
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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