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Title: Materials Data on RbYbBr3 by Materials Project

Abstract

RbYbBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.49–3.86 Å. Yb2+ is bonded to six Br1- atoms to form corner-sharing YbBr6 octahedra. The corner-sharing octahedra tilt angles range from 24–28°. 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 Rb1+ and two equivalent Yb2+ atoms. In the second Br1- site, Br1- is bonded to two equivalent Rb1+ and two equivalent Yb2+ atoms to form distorted corner-sharing BrRb2Yb2 tetrahedra.

Publication Date:
Other Number(s):
mp-571418
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; RbYbBr3; Br-Rb-Yb
OSTI Identifier:
1276247
DOI:
10.17188/1276247

Citation Formats

The Materials Project. Materials Data on RbYbBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276247.
The Materials Project. Materials Data on RbYbBr3 by Materials Project. United States. doi:10.17188/1276247.
The Materials Project. 2020. "Materials Data on RbYbBr3 by Materials Project". United States. doi:10.17188/1276247. https://www.osti.gov/servlets/purl/1276247. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1276247,
title = {Materials Data on RbYbBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbYbBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.49–3.86 Å. Yb2+ is bonded to six Br1- atoms to form corner-sharing YbBr6 octahedra. The corner-sharing octahedra tilt angles range from 24–28°. 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 Rb1+ and two equivalent Yb2+ atoms. In the second Br1- site, Br1- is bonded to two equivalent Rb1+ and two equivalent Yb2+ atoms to form distorted corner-sharing BrRb2Yb2 tetrahedra.},
doi = {10.17188/1276247},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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