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Title: Materials Data on YAgSb2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1758332· OSTI ID:1758332

YAgSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.19 Å) and four longer (3.29 Å) Y–Sb bond lengths. Ag1+ is bonded in a 8-coordinate geometry to four equivalent Ag1+ and four equivalent Sb2- atoms. All Ag–Ag bond lengths are 3.07 Å. All Ag–Sb bond lengths are 2.91 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.07 Å. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent Ag1+ atoms.

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:
1758332
Report Number(s):
mp-1078739
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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