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Title: Materials Data on DyTmO3 by Materials Project

Abstract

TmDyO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 45–48°. There are a spread of Tm–O bond distances ranging from 2.20–2.28 Å. Dy3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.22–2.72 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Dy3+ atoms to form distorted corner-sharing ODy2Tm2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tm3+ and two equivalent Dy3+ atoms.

Publication Date:
Other Number(s):
mp-752435
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; DyTmO3; Dy-O-Tm
OSTI Identifier:
1288589
DOI:
https://doi.org/10.17188/1288589

Citation Formats

The Materials Project. Materials Data on DyTmO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288589.
The Materials Project. Materials Data on DyTmO3 by Materials Project. United States. doi:https://doi.org/10.17188/1288589
The Materials Project. 2020. "Materials Data on DyTmO3 by Materials Project". United States. doi:https://doi.org/10.17188/1288589. https://www.osti.gov/servlets/purl/1288589. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1288589,
title = {Materials Data on DyTmO3 by Materials Project},
author = {The Materials Project},
abstractNote = {TmDyO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 45–48°. There are a spread of Tm–O bond distances ranging from 2.20–2.28 Å. Dy3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.22–2.72 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Dy3+ atoms to form distorted corner-sharing ODy2Tm2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tm3+ and two equivalent Dy3+ atoms.},
doi = {10.17188/1288589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}