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Title: Materials Data on La3Bi3O11 by Materials Project

Abstract

La3Bi3O11 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. All La–O bond lengths are 2.60 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.35–3.00 Å. Bi+4.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 64°. There are a spread of Bi–O bond distances ranging from 2.20–2.25 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two La3+ and two equivalent Bi+4.33+ atoms to form a mixture of distorted edge and corner-sharing OLa2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent La3+ and two equivalent Bi+4.33+ atoms. In the third O2- site, O2- is bonded to four La3+ atoms to form a mixture of distorted edge and corner-sharing OLa4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-772194
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; La3Bi3O11; Bi-La-O
OSTI Identifier:
1301100
DOI:
https://doi.org/10.17188/1301100

Citation Formats

The Materials Project. Materials Data on La3Bi3O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301100.
The Materials Project. Materials Data on La3Bi3O11 by Materials Project. United States. doi:https://doi.org/10.17188/1301100
The Materials Project. 2020. "Materials Data on La3Bi3O11 by Materials Project". United States. doi:https://doi.org/10.17188/1301100. https://www.osti.gov/servlets/purl/1301100. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1301100,
title = {Materials Data on La3Bi3O11 by Materials Project},
author = {The Materials Project},
abstractNote = {La3Bi3O11 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. All La–O bond lengths are 2.60 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.35–3.00 Å. Bi+4.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 64°. There are a spread of Bi–O bond distances ranging from 2.20–2.25 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two La3+ and two equivalent Bi+4.33+ atoms to form a mixture of distorted edge and corner-sharing OLa2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent La3+ and two equivalent Bi+4.33+ atoms. In the third O2- site, O2- is bonded to four La3+ atoms to form a mixture of distorted edge and corner-sharing OLa4 tetrahedra.},
doi = {10.17188/1301100},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}