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Title: Materials Data on RbSr3 by Materials Project

Abstract

RbSr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded to twelve Sr atoms to form RbSr12 cuboctahedra that share corners with four equivalent RbSr12 cuboctahedra, corners with eight equivalent SrRb4Sr8 cuboctahedra, edges with eight equivalent RbSr12 cuboctahedra, edges with sixteen equivalent SrRb4Sr8 cuboctahedra, faces with four equivalent RbSr12 cuboctahedra, and faces with fourteen SrRb4Sr8 cuboctahedra. There are four shorter (4.37 Å) and eight longer (4.44 Å) Rb–Sr bond lengths. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded to four equivalent Rb and eight Sr atoms to form SrRb4Sr8 cuboctahedra that share corners with twelve equivalent SrRb4Sr8 cuboctahedra, edges with eight equivalent RbSr12 cuboctahedra, edges with sixteen SrRb4Sr8 cuboctahedra, faces with four equivalent RbSr12 cuboctahedra, and faces with fourteen SrRb4Sr8 cuboctahedra. There are four shorter (4.37 Å) and four longer (4.44 Å) Sr–Sr bond lengths. In the second Sr site, Sr is bonded to four equivalent Rb and eight equivalent Sr atoms to form SrRb4Sr8 cuboctahedra that share corners with four equivalent SrRb4Sr8 cuboctahedra, corners with eight equivalent RbSr12 cuboctahedra, edges with twenty-four SrRb4Sr8 cuboctahedra, faces with six equivalent RbSr12 cuboctahedra, and faces withmore » twelve SrRb4Sr8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-975222
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; RbSr3; Rb-Sr
OSTI Identifier:
1314747
DOI:
https://doi.org/10.17188/1314747

Citation Formats

The Materials Project. Materials Data on RbSr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314747.
The Materials Project. Materials Data on RbSr3 by Materials Project. United States. doi:https://doi.org/10.17188/1314747
The Materials Project. 2020. "Materials Data on RbSr3 by Materials Project". United States. doi:https://doi.org/10.17188/1314747. https://www.osti.gov/servlets/purl/1314747. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1314747,
title = {Materials Data on RbSr3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbSr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded to twelve Sr atoms to form RbSr12 cuboctahedra that share corners with four equivalent RbSr12 cuboctahedra, corners with eight equivalent SrRb4Sr8 cuboctahedra, edges with eight equivalent RbSr12 cuboctahedra, edges with sixteen equivalent SrRb4Sr8 cuboctahedra, faces with four equivalent RbSr12 cuboctahedra, and faces with fourteen SrRb4Sr8 cuboctahedra. There are four shorter (4.37 Å) and eight longer (4.44 Å) Rb–Sr bond lengths. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded to four equivalent Rb and eight Sr atoms to form SrRb4Sr8 cuboctahedra that share corners with twelve equivalent SrRb4Sr8 cuboctahedra, edges with eight equivalent RbSr12 cuboctahedra, edges with sixteen SrRb4Sr8 cuboctahedra, faces with four equivalent RbSr12 cuboctahedra, and faces with fourteen SrRb4Sr8 cuboctahedra. There are four shorter (4.37 Å) and four longer (4.44 Å) Sr–Sr bond lengths. In the second Sr site, Sr is bonded to four equivalent Rb and eight equivalent Sr atoms to form SrRb4Sr8 cuboctahedra that share corners with four equivalent SrRb4Sr8 cuboctahedra, corners with eight equivalent RbSr12 cuboctahedra, edges with twenty-four SrRb4Sr8 cuboctahedra, faces with six equivalent RbSr12 cuboctahedra, and faces with twelve SrRb4Sr8 cuboctahedra.},
doi = {10.17188/1314747},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}