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Title: Materials Data on Rb3Ca by Materials Project

Abstract

Rb3Ca is beta-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb is bonded to eight equivalent Rb and four equivalent Ca atoms to form distorted RbRb8Ca4 cuboctahedra that share corners with four equivalent CaRb12 cuboctahedra, corners with fourteen equivalent RbRb8Ca4 cuboctahedra, edges with six equivalent CaRb12 cuboctahedra, edges with twelve equivalent RbRb8Ca4 cuboctahedra, faces with four equivalent CaRb12 cuboctahedra, and faces with sixteen equivalent RbRb8Ca4 cuboctahedra. There are a spread of Rb–Rb bond distances ranging from 4.58–4.87 Å. There are two shorter (4.66 Å) and two longer (4.73 Å) Rb–Ca bond lengths. Ca is bonded to twelve equivalent Rb atoms to form distorted CaRb12 cuboctahedra that share corners with six equivalent CaRb12 cuboctahedra, corners with twelve equivalent RbRb8Ca4 cuboctahedra, edges with eighteen equivalent RbRb8Ca4 cuboctahedra, faces with eight equivalent CaRb12 cuboctahedra, and faces with twelve equivalent RbRb8Ca4 cuboctahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-974635
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; Rb3Ca; Ca-Rb
OSTI Identifier:
1268492
DOI:
10.17188/1268492

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Rb3Ca by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268492.
Persson, Kristin, & Project, Materials. Materials Data on Rb3Ca by Materials Project. United States. doi:10.17188/1268492.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Rb3Ca by Materials Project". United States. doi:10.17188/1268492. https://www.osti.gov/servlets/purl/1268492. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1268492,
title = {Materials Data on Rb3Ca by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Rb3Ca is beta-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb is bonded to eight equivalent Rb and four equivalent Ca atoms to form distorted RbRb8Ca4 cuboctahedra that share corners with four equivalent CaRb12 cuboctahedra, corners with fourteen equivalent RbRb8Ca4 cuboctahedra, edges with six equivalent CaRb12 cuboctahedra, edges with twelve equivalent RbRb8Ca4 cuboctahedra, faces with four equivalent CaRb12 cuboctahedra, and faces with sixteen equivalent RbRb8Ca4 cuboctahedra. There are a spread of Rb–Rb bond distances ranging from 4.58–4.87 Å. There are two shorter (4.66 Å) and two longer (4.73 Å) Rb–Ca bond lengths. Ca is bonded to twelve equivalent Rb atoms to form distorted CaRb12 cuboctahedra that share corners with six equivalent CaRb12 cuboctahedra, corners with twelve equivalent RbRb8Ca4 cuboctahedra, edges with eighteen equivalent RbRb8Ca4 cuboctahedra, faces with eight equivalent CaRb12 cuboctahedra, and faces with twelve equivalent RbRb8Ca4 cuboctahedra.},
doi = {10.17188/1268492},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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