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Title: Materials Data on La2PdO4 by Materials Project

Abstract

La2PdO4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.40 Å) and four longer (2.80 Å) La–O bond lengths. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent La3+ and two equivalent Pd2+ atoms to form distorted OLa4Pd2 octahedra that share corners with two equivalent OLa4Pd2 octahedra, corners with twelve equivalent OLa4 tetrahedra, edges with two equivalent OLa4Pd2 octahedra, edges with two equivalent OLa4 tetrahedra, and faces with four equivalent OLa4Pd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form OLa4 tetrahedra that share corners with twelve equivalent OLa4Pd2 octahedra, corners with four equivalent OLa4 tetrahedra, edges with two equivalent OLa4Pd2 octahedra, and edges with four equivalent OLa4 tetrahedra. The corner-sharing octahedra tilt angles range from 12–69°.

Authors:
Publication Date:
Other Number(s):
mp-8672
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; La2PdO4; La-O-Pd
OSTI Identifier:
1311856
DOI:
https://doi.org/10.17188/1311856

Citation Formats

The Materials Project. Materials Data on La2PdO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311856.
The Materials Project. Materials Data on La2PdO4 by Materials Project. United States. doi:https://doi.org/10.17188/1311856
The Materials Project. 2020. "Materials Data on La2PdO4 by Materials Project". United States. doi:https://doi.org/10.17188/1311856. https://www.osti.gov/servlets/purl/1311856. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1311856,
title = {Materials Data on La2PdO4 by Materials Project},
author = {The Materials Project},
abstractNote = {La2PdO4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.40 Å) and four longer (2.80 Å) La–O bond lengths. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent La3+ and two equivalent Pd2+ atoms to form distorted OLa4Pd2 octahedra that share corners with two equivalent OLa4Pd2 octahedra, corners with twelve equivalent OLa4 tetrahedra, edges with two equivalent OLa4Pd2 octahedra, edges with two equivalent OLa4 tetrahedra, and faces with four equivalent OLa4Pd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form OLa4 tetrahedra that share corners with twelve equivalent OLa4Pd2 octahedra, corners with four equivalent OLa4 tetrahedra, edges with two equivalent OLa4Pd2 octahedra, and edges with four equivalent OLa4 tetrahedra. The corner-sharing octahedra tilt angles range from 12–69°.},
doi = {10.17188/1311856},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}