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Title: Materials Data on La2Cu2O5 by Materials Project

Abstract

La2Cu2O5 crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.71 Å. Cu2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (1.99 Å) and two longer (2.01 Å) Cu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent La3+ and two equivalent Cu2+ atoms to form distorted OLa3Cu2 trigonal bipyramids that share corners with four equivalent OLa4 tetrahedra, corners with eight equivalent OLa3Cu2 trigonal bipyramids, an edgeedge with one OLa4 tetrahedra, edges with five equivalent OLa3Cu2 trigonal bipyramids, and a faceface with one OLa3Cu2 trigonal bipyramid. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form OLa4 tetrahedra that share corners with sixteen equivalent OLa3Cu2 trigonal bipyramids, edges with two equivalent OLa4 tetrahedra, and edges with four equivalent OLa3Cu2 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-1147637
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; La2Cu2O5; Cu-La-O
OSTI Identifier:
1744639
DOI:
https://doi.org/10.17188/1744639

Citation Formats

The Materials Project. Materials Data on La2Cu2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744639.
The Materials Project. Materials Data on La2Cu2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1744639
The Materials Project. 2020. "Materials Data on La2Cu2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1744639. https://www.osti.gov/servlets/purl/1744639. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744639,
title = {Materials Data on La2Cu2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {La2Cu2O5 crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.71 Å. Cu2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (1.99 Å) and two longer (2.01 Å) Cu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent La3+ and two equivalent Cu2+ atoms to form distorted OLa3Cu2 trigonal bipyramids that share corners with four equivalent OLa4 tetrahedra, corners with eight equivalent OLa3Cu2 trigonal bipyramids, an edgeedge with one OLa4 tetrahedra, edges with five equivalent OLa3Cu2 trigonal bipyramids, and a faceface with one OLa3Cu2 trigonal bipyramid. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form OLa4 tetrahedra that share corners with sixteen equivalent OLa3Cu2 trigonal bipyramids, edges with two equivalent OLa4 tetrahedra, and edges with four equivalent OLa3Cu2 trigonal bipyramids.},
doi = {10.17188/1744639},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}