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Title: Materials Data on KYbBr3 by Materials Project

Abstract

KYbBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.30–3.87 Å. Yb2+ is bonded to six Br1- atoms to form corner-sharing YbBr6 octahedra. The corner-sharing octahedra tilt angles range from 32–33°. There are two shorter (2.89 Å) and four longer (2.90 Å) Yb–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Yb2+ atoms. In the second Br1- site, Br1- is bonded to two equivalent K1+ and two equivalent Yb2+ atoms to form distorted corner-sharing BrK2Yb2 tetrahedra.

Publication Date:
Other Number(s):
mp-1211270
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; KYbBr3; Br-K-Yb
OSTI Identifier:
1729508
DOI:
https://doi.org/10.17188/1729508

Citation Formats

The Materials Project. Materials Data on KYbBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729508.
The Materials Project. Materials Data on KYbBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1729508
The Materials Project. 2020. "Materials Data on KYbBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1729508. https://www.osti.gov/servlets/purl/1729508. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1729508,
title = {Materials Data on KYbBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {KYbBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.30–3.87 Å. Yb2+ is bonded to six Br1- atoms to form corner-sharing YbBr6 octahedra. The corner-sharing octahedra tilt angles range from 32–33°. There are two shorter (2.89 Å) and four longer (2.90 Å) Yb–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Yb2+ atoms. In the second Br1- site, Br1- is bonded to two equivalent K1+ and two equivalent Yb2+ atoms to form distorted corner-sharing BrK2Yb2 tetrahedra.},
doi = {10.17188/1729508},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}