Materials Data on CsDyI3 by Materials Project
Abstract
CsDyI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine I atoms. There are a spread of Cs–I bond distances ranging from 3.92–4.42 Å. Dy is bonded to six I atoms to form corner-sharing DyI6 octahedra. The corner-sharing octahedra tilt angles range from 12–18°. All Dy–I bond lengths are 3.06 Å. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three equivalent Cs and two equivalent Dy atoms. In the second I site, I is bonded to three equivalent Cs and two equivalent Dy atoms to form a mixture of distorted edge and corner-sharing ICs3Dy2 square pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-505418
- 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; CsDyI3; Cs-Dy-I
- OSTI Identifier:
- 1262529
- DOI:
- https://doi.org/10.17188/1262529
Citation Formats
The Materials Project. Materials Data on CsDyI3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262529.
The Materials Project. Materials Data on CsDyI3 by Materials Project. United States. doi:https://doi.org/10.17188/1262529
The Materials Project. 2020.
"Materials Data on CsDyI3 by Materials Project". United States. doi:https://doi.org/10.17188/1262529. https://www.osti.gov/servlets/purl/1262529. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1262529,
title = {Materials Data on CsDyI3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsDyI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine I atoms. There are a spread of Cs–I bond distances ranging from 3.92–4.42 Å. Dy is bonded to six I atoms to form corner-sharing DyI6 octahedra. The corner-sharing octahedra tilt angles range from 12–18°. All Dy–I bond lengths are 3.06 Å. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three equivalent Cs and two equivalent Dy atoms. In the second I site, I is bonded to three equivalent Cs and two equivalent Dy atoms to form a mixture of distorted edge and corner-sharing ICs3Dy2 square pyramids.},
doi = {10.17188/1262529},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}