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Title: 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}
}