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Title: Materials Data on La2ZnO4 by Materials Project

Abstract

ZnOLa2O3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to six O2- atoms to form edge-sharing LaO6 octahedra. There are a spread of La–O bond distances ranging from 2.43–2.51 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.94 Å. Zn2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.87 Å) and two longer (1.91 Å) Zn–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Zn2+ atom. In the third O2- site, O2- is bonded to three La3+ and one Zn2+ atom to form distorted OLa3Zn tetrahedra that share corners with eight OLa4 tetrahedra and edges with two equivalent OLa3Zn tetrahedra. In the fourth O2- site, O2- is bonded to three La3+ and one Zn2+ atom to form amore » mixture of edge and corner-sharing OLa3Zn tetrahedra.« less

Publication Date:
Other Number(s):
mp-756599
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; La2ZnO4; La-O-Zn
OSTI Identifier:
1290569
DOI:
https://doi.org/10.17188/1290569

Citation Formats

The Materials Project. Materials Data on La2ZnO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290569.
The Materials Project. Materials Data on La2ZnO4 by Materials Project. United States. doi:https://doi.org/10.17188/1290569
The Materials Project. 2020. "Materials Data on La2ZnO4 by Materials Project". United States. doi:https://doi.org/10.17188/1290569. https://www.osti.gov/servlets/purl/1290569. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1290569,
title = {Materials Data on La2ZnO4 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnOLa2O3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to six O2- atoms to form edge-sharing LaO6 octahedra. There are a spread of La–O bond distances ranging from 2.43–2.51 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.94 Å. Zn2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.87 Å) and two longer (1.91 Å) Zn–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Zn2+ atom. In the third O2- site, O2- is bonded to three La3+ and one Zn2+ atom to form distorted OLa3Zn tetrahedra that share corners with eight OLa4 tetrahedra and edges with two equivalent OLa3Zn tetrahedra. In the fourth O2- site, O2- is bonded to three La3+ and one Zn2+ atom to form a mixture of edge and corner-sharing OLa3Zn tetrahedra.},
doi = {10.17188/1290569},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}