Title: Materials Data on La2Bi2O7 by Materials Project

Abstract

La2Bi2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.44 Å) and six longer (2.66 Å) La–O bond lengths. Bi4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Bi–O bond lengths are 2.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent La3+ and two equivalent Bi4+ atoms to form a mixture of distorted edge and corner-sharing OLa2Bi2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.

Publication Date:
Other Number(s):
mp-770462
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Bi-La-O; crystal structure; La2Bi2O7
OSTI Identifier:
1299788
DOI:
https://doi.org/10.17188/1299788

Citation Formats

Materials Data on La2Bi2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1299788.
Materials Data on La2Bi2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1299788
2020. "Materials Data on La2Bi2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1299788. https://www.osti.gov/servlets/purl/1299788. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1299788,
title = {Materials Data on La2Bi2O7 by Materials Project},
abstractNote = {La2Bi2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.44 Å) and six longer (2.66 Å) La–O bond lengths. Bi4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Bi–O bond lengths are 2.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent La3+ and two equivalent Bi4+ atoms to form a mixture of distorted edge and corner-sharing OLa2Bi2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.},
doi = {10.17188/1299788},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}