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

Abstract

Be(Bi3O5)4 crystallizes in the cubic I23 space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with twelve equivalent BiO5 square pyramids. All Be–O bond lengths are 1.71 Å. Bi+3.17+ 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 BeO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.11–2.56 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Be2+ and three equivalent Bi+3.17+ atoms. 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 in a trigonal non-coplanar geometry to three equivalent Bi+3.17+ atoms.

Publication Date:
Other Number(s):
mp-772198
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; Be(Bi3O5)4; Be-Bi-O
OSTI Identifier:
1301102
DOI:
10.17188/1301102

Citation Formats

The Materials Project. Materials Data on Be(Bi3O5)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301102.
The Materials Project. Materials Data on Be(Bi3O5)4 by Materials Project. United States. doi:10.17188/1301102.
The Materials Project. 2020. "Materials Data on Be(Bi3O5)4 by Materials Project". United States. doi:10.17188/1301102. https://www.osti.gov/servlets/purl/1301102. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1301102,
title = {Materials Data on Be(Bi3O5)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Be(Bi3O5)4 crystallizes in the cubic I23 space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with twelve equivalent BiO5 square pyramids. All Be–O bond lengths are 1.71 Å. Bi+3.17+ 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 BeO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.11–2.56 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Be2+ and three equivalent Bi+3.17+ atoms. 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 in a trigonal non-coplanar geometry to three equivalent Bi+3.17+ atoms.},
doi = {10.17188/1301102},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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