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Title: Materials Data on Sr3YRhO6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1193134· OSTI ID:1193134

Sr3YRhO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.77 Å. Y3+ is bonded to six equivalent O2- atoms to form distorted YO6 pentagonal pyramids that share faces with two equivalent RhO6 octahedra. All Y–O bond lengths are 2.29 Å. Rh3+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share faces with two equivalent YO6 pentagonal pyramids. All Rh–O bond lengths are 2.11 Å. O2- is bonded to four equivalent Sr2+, one Y3+, and one Rh3+ atom to form a mixture of distorted edge, face, and corner-sharing OSr4YRh octahedra. The corner-sharing octahedra tilt angles range from 0–66°.

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:
1193134
Report Number(s):
mp-18498
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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