DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SrDyCoO4 by Materials Project

Abstract

SrDyCoO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm 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 2.37–2.70 Å. Dy3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Dy–O bond distances ranging from 2.21–2.75 Å. Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Co–O bond distances ranging from 1.89–2.25 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Dy3+, and two equivalent Co3+ atoms to form distorted OSr2Dy2Co2 octahedra that share corners with eight OSr3Dy2Co octahedra, edges with two equivalent OSr2Dy2Co2 octahedra, and faces with six OSr3Dy2Co octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, three equivalent Dy3+, and one Co3+ atom. In the third O2- site, O2- is bonded to three equivalent Sr2+, two equivalent Dy3+, and one Co3+ atom to form distorted OSr3Dy2Co octahedra that sharemore » corners with sixteen OSr3Dy2Co octahedra, edges with two equivalent OSr3Dy2Co octahedra, and faces with four equivalent OSr2Dy2Co2 octahedra. The corner-sharing octahedra tilt angles range from 7–56°.« less

Publication Date:
Other Number(s):
mp-1218284
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; SrDyCoO4; Co-Dy-O-Sr
OSTI Identifier:
1723074
DOI:
https://doi.org/10.17188/1723074

Citation Formats

The Materials Project. Materials Data on SrDyCoO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1723074.
The Materials Project. Materials Data on SrDyCoO4 by Materials Project. United States. doi:https://doi.org/10.17188/1723074
The Materials Project. 2020. "Materials Data on SrDyCoO4 by Materials Project". United States. doi:https://doi.org/10.17188/1723074. https://www.osti.gov/servlets/purl/1723074. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1723074,
title = {Materials Data on SrDyCoO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrDyCoO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm 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 2.37–2.70 Å. Dy3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Dy–O bond distances ranging from 2.21–2.75 Å. Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Co–O bond distances ranging from 1.89–2.25 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Dy3+, and two equivalent Co3+ atoms to form distorted OSr2Dy2Co2 octahedra that share corners with eight OSr3Dy2Co octahedra, edges with two equivalent OSr2Dy2Co2 octahedra, and faces with six OSr3Dy2Co octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, three equivalent Dy3+, and one Co3+ atom. In the third O2- site, O2- is bonded to three equivalent Sr2+, two equivalent Dy3+, and one Co3+ atom to form distorted OSr3Dy2Co octahedra that share corners with sixteen OSr3Dy2Co octahedra, edges with two equivalent OSr3Dy2Co octahedra, and faces with four equivalent OSr2Dy2Co2 octahedra. The corner-sharing octahedra tilt angles range from 7–56°.},
doi = {10.17188/1723074},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}