DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on La(BiO2)2 by Materials Project

Abstract

La(BiO2)2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three La(BiO2)2 sheets oriented in the (0, 0, 1) direction. La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.51 Å) and two longer (2.67 Å) La–O bond lengths. Bi+2.50+ is bonded to four O2- atoms to form corner-sharing BiO4 trigonal pyramids. There are one shorter (2.15 Å) and three longer (2.36 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent La3+ and one Bi+2.50+ atom to form OLa3Bi tetrahedra that share corners with nine equivalent OLa3Bi tetrahedra, corners with three equivalent OLaBi3 trigonal pyramids, edges with three equivalent OLa3Bi tetrahedra, and edges with three equivalent OLaBi3 trigonal pyramids. In the second O2- site, O2- is bonded to one La3+ and three equivalent Bi+2.50+ atoms to form distorted OLaBi3 trigonal pyramids that share corners with three equivalent OLa3Bi tetrahedra, corners with seven equivalent OLaBi3 trigonal pyramids, and edges with three equivalent OLa3Bi tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-753380
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; La(BiO2)2; Bi-La-O
OSTI Identifier:
1289008
DOI:
https://doi.org/10.17188/1289008

Citation Formats

The Materials Project. Materials Data on La(BiO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289008.
The Materials Project. Materials Data on La(BiO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1289008
The Materials Project. 2020. "Materials Data on La(BiO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1289008. https://www.osti.gov/servlets/purl/1289008. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1289008,
title = {Materials Data on La(BiO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {La(BiO2)2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three La(BiO2)2 sheets oriented in the (0, 0, 1) direction. La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.51 Å) and two longer (2.67 Å) La–O bond lengths. Bi+2.50+ is bonded to four O2- atoms to form corner-sharing BiO4 trigonal pyramids. There are one shorter (2.15 Å) and three longer (2.36 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent La3+ and one Bi+2.50+ atom to form OLa3Bi tetrahedra that share corners with nine equivalent OLa3Bi tetrahedra, corners with three equivalent OLaBi3 trigonal pyramids, edges with three equivalent OLa3Bi tetrahedra, and edges with three equivalent OLaBi3 trigonal pyramids. In the second O2- site, O2- is bonded to one La3+ and three equivalent Bi+2.50+ atoms to form distorted OLaBi3 trigonal pyramids that share corners with three equivalent OLa3Bi tetrahedra, corners with seven equivalent OLaBi3 trigonal pyramids, and edges with three equivalent OLa3Bi tetrahedra.},
doi = {10.17188/1289008},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}