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Title: Materials Data on SrNdCoO4 by Materials Project

Abstract

SrNdCoO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.73 Å. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.35–2.72 Å. Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are a spread of Co–O bond distances ranging from 1.92–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, four equivalent Nd3+, and one Co3+ atom to form distorted OSrNd4Co octahedra that share corners with seventeen OSr2Nd2Co2 octahedra, edges with eight OSrNd4Co octahedra, and faces with four equivalent OSr2Nd2Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Nd3+, and one Co3+ atom to form distorted OSr4NdCo octahedra that share corners with seventeen OSr2Nd2Co2 octahedra, edges with eight OSrNd4Co octahedra, and faces with four equivalent OSr2Nd2Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. Inmore » the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Nd3+, and two equivalent Co3+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr2Nd2Co2 octahedra. The corner-sharing octahedra tilt angles range from 7–53°.« less

Authors:
Publication Date:
Other Number(s):
mp-1218151
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; SrNdCoO4; Co-Nd-O-Sr
OSTI Identifier:
1667331
DOI:
https://doi.org/10.17188/1667331

Citation Formats

The Materials Project. Materials Data on SrNdCoO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667331.
The Materials Project. Materials Data on SrNdCoO4 by Materials Project. United States. doi:https://doi.org/10.17188/1667331
The Materials Project. 2020. "Materials Data on SrNdCoO4 by Materials Project". United States. doi:https://doi.org/10.17188/1667331. https://www.osti.gov/servlets/purl/1667331. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1667331,
title = {Materials Data on SrNdCoO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrNdCoO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.73 Å. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.35–2.72 Å. Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are a spread of Co–O bond distances ranging from 1.92–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, four equivalent Nd3+, and one Co3+ atom to form distorted OSrNd4Co octahedra that share corners with seventeen OSr2Nd2Co2 octahedra, edges with eight OSrNd4Co octahedra, and faces with four equivalent OSr2Nd2Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Nd3+, and one Co3+ atom to form distorted OSr4NdCo octahedra that share corners with seventeen OSr2Nd2Co2 octahedra, edges with eight OSrNd4Co octahedra, and faces with four equivalent OSr2Nd2Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Nd3+, and two equivalent Co3+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr2Nd2Co2 octahedra. The corner-sharing octahedra tilt angles range from 7–53°.},
doi = {10.17188/1667331},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}