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

Abstract

Er(Bi3O5)4 crystallizes in the cubic I23 space group. The structure is three-dimensional. Er3+ is bonded to four equivalent O2- atoms to form ErO4 tetrahedra that share corners with twelve equivalent BiO5 square pyramids. All Er–O bond lengths are 2.15 Å. Bi+3.08+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with eight equivalent BiO5 square pyramids, a cornercorner with one ErO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.11–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Er3+ and three equivalent Bi+3.08+ atoms to form corner-sharing OErBi3 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+3.08+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi+3.08+ atoms.

Publication Date:
Other Number(s):
mp-772790
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Er(Bi3O5)4; Bi-Er-O
OSTI Identifier:
1301479
DOI:
https://doi.org/10.17188/1301479

Citation Formats

The Materials Project. Materials Data on Er(Bi3O5)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301479.
The Materials Project. Materials Data on Er(Bi3O5)4 by Materials Project. United States. doi:https://doi.org/10.17188/1301479
The Materials Project. 2020. "Materials Data on Er(Bi3O5)4 by Materials Project". United States. doi:https://doi.org/10.17188/1301479. https://www.osti.gov/servlets/purl/1301479. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1301479,
title = {Materials Data on Er(Bi3O5)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Er(Bi3O5)4 crystallizes in the cubic I23 space group. The structure is three-dimensional. Er3+ is bonded to four equivalent O2- atoms to form ErO4 tetrahedra that share corners with twelve equivalent BiO5 square pyramids. All Er–O bond lengths are 2.15 Å. Bi+3.08+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with eight equivalent BiO5 square pyramids, a cornercorner with one ErO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.11–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Er3+ and three equivalent Bi+3.08+ atoms to form corner-sharing OErBi3 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+3.08+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi+3.08+ atoms.},
doi = {10.17188/1301479},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}