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Title: Materials Data on La2Zr2O7 by Materials Project

Abstract

La2Zr2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.36 Å) and six longer (2.65 Å) La–O bond lengths. Zr4+ is bonded to six equivalent O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Zr–O bond lengths are 2.13 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent La3+ atoms to form corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Zr4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-4974
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; La2Zr2O7; La-O-Zr
OSTI Identifier:
1208525
DOI:
https://doi.org/10.17188/1208525

Citation Formats

The Materials Project. Materials Data on La2Zr2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208525.
The Materials Project. Materials Data on La2Zr2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1208525
The Materials Project. 2020. "Materials Data on La2Zr2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1208525. https://www.osti.gov/servlets/purl/1208525. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1208525,
title = {Materials Data on La2Zr2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {La2Zr2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.36 Å) and six longer (2.65 Å) La–O bond lengths. Zr4+ is bonded to six equivalent O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Zr–O bond lengths are 2.13 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent La3+ atoms to form corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Zr4+ atoms.},
doi = {10.17188/1208525},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}