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Title: Materials Data on Yb(Bi3O5)4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1291389· OSTI ID:1291389

Yb(Bi3O5)4 crystallizes in the cubic I23 space group. The structure is three-dimensional. Yb2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.31 Å) and four longer (2.91 Å) Yb–O bond lengths. Bi+3.17+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.11–2.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Yb2+ and three equivalent Bi+3.17+ atoms to form a mixture of distorted corner and edge-sharing OYbBi3 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+3.17+ atoms. In the third O2- site, O2- is bonded to one Yb2+ and three equivalent Bi+3.17+ atoms to form a mixture of corner and edge-sharing OYbBi3 tetrahedra.

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:
1291389
Report Number(s):
mp-759324
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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