Materials Data on DyNiO3 by Materials Project
Abstract
DyNiO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.26–2.61 Å. Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are four shorter (1.95 Å) and two longer (2.05 Å) Ni–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Dy3+ and two equivalent Ni3+ atoms. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Ni3+ atoms to form distorted corner-sharing ODy2Ni2 trigonal pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-19265
- 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; DyNiO3; Dy-Ni-O
- OSTI Identifier:
- 1194149
- DOI:
- https://doi.org/10.17188/1194149
Citation Formats
The Materials Project. Materials Data on DyNiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1194149.
The Materials Project. Materials Data on DyNiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1194149
The Materials Project. 2020.
"Materials Data on DyNiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1194149. https://www.osti.gov/servlets/purl/1194149. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1194149,
title = {Materials Data on DyNiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {DyNiO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.26–2.61 Å. Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are four shorter (1.95 Å) and two longer (2.05 Å) Ni–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Dy3+ and two equivalent Ni3+ atoms. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Ni3+ atoms to form distorted corner-sharing ODy2Ni2 trigonal pyramids.},
doi = {10.17188/1194149},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}