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Title: Materials Data on LaCrAsO by Materials Project

Abstract

LaCrAsO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All La–As bond lengths are 3.49 Å. All La–O bond lengths are 2.41 Å. Cr2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CrAs4 tetrahedra. All Cr–As bond lengths are 2.61 Å. As3- is bonded in a 4-coordinate geometry to four equivalent La3+ and four equivalent Cr2+ atoms. O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1079055
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; LaCrAsO; As-Cr-La-O
OSTI Identifier:
1652791
DOI:
https://doi.org/10.17188/1652791

Citation Formats

The Materials Project. Materials Data on LaCrAsO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652791.
The Materials Project. Materials Data on LaCrAsO by Materials Project. United States. doi:https://doi.org/10.17188/1652791
The Materials Project. 2020. "Materials Data on LaCrAsO by Materials Project". United States. doi:https://doi.org/10.17188/1652791. https://www.osti.gov/servlets/purl/1652791. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1652791,
title = {Materials Data on LaCrAsO by Materials Project},
author = {The Materials Project},
abstractNote = {LaCrAsO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All La–As bond lengths are 3.49 Å. All La–O bond lengths are 2.41 Å. Cr2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CrAs4 tetrahedra. All Cr–As bond lengths are 2.61 Å. As3- is bonded in a 4-coordinate geometry to four equivalent La3+ and four equivalent Cr2+ atoms. O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.},
doi = {10.17188/1652791},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}