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Title: Materials Data on RbSr2Br5 by Materials Project

Abstract

RbSr2Br5 crystallizes in the monoclinic P2_1/c 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 3.40–3.85 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Sr–Br bond distances ranging from 3.19–3.35 Å. In the second Sr2+ site, Sr2+ is bonded to seven Br1- atoms to form distorted edge-sharing SrBr7 pentagonal bipyramids. There are a spread of Sr–Br bond distances ranging from 3.08–3.28 Å. There are five inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to two equivalent Rb1+ and two equivalent Sr2+ atoms to form distorted BrRb2Sr2 tetrahedra that share corners with four equivalent BrRb2Sr3 square pyramids, corners with six BrRb2Sr2 tetrahedra, corners with two equivalent BrRb2Sr3 trigonal bipyramids, an edgeedge with one BrRb2Sr3 square pyramid, an edgeedge with one BrRb2Sr2 tetrahedra, and edges with two equivalent BrRb2Sr3 trigonal bipyramids. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Sr2+ atoms. In the third Br1- site, Br1- is bonded to twomore » equivalent Rb1+ and three Sr2+ atoms to form distorted BrRb2Sr3 trigonal bipyramids that share corners with four equivalent BrRb2Sr3 square pyramids, corners with four BrRb2Sr2 tetrahedra, corners with four equivalent BrRb2Sr3 trigonal bipyramids, an edgeedge with one BrRb2Sr3 square pyramid, edges with four BrSr4 tetrahedra, and a faceface with one BrRb2Sr3 square pyramid. In the fourth Br1- site, Br1- is bonded to two equivalent Rb1+ and three Sr2+ atoms to form distorted BrRb2Sr3 square pyramids that share corners with eight BrRb2Sr2 tetrahedra, corners with four equivalent BrRb2Sr3 trigonal bipyramids, edges with two equivalent BrRb2Sr3 square pyramids, edges with two BrRb2Sr2 tetrahedra, an edgeedge with one BrRb2Sr3 trigonal bipyramid, and a faceface with one BrRb2Sr3 trigonal bipyramid. In the fifth Br1- site, Br1- is bonded to four Sr2+ atoms to form distorted BrSr4 tetrahedra that share corners with four equivalent BrRb2Sr3 square pyramids, corners with six BrRb2Sr2 tetrahedra, corners with two equivalent BrRb2Sr3 trigonal bipyramids, an edgeedge with one BrRb2Sr3 square pyramid, an edgeedge with one BrSr4 tetrahedra, and edges with two equivalent BrRb2Sr3 trigonal bipyramids.« less

Publication Date:
Other Number(s):
mp-1209189
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; RbSr2Br5; Br-Rb-Sr
OSTI Identifier:
1699512
DOI:
https://doi.org/10.17188/1699512

Citation Formats

The Materials Project. Materials Data on RbSr2Br5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699512.
The Materials Project. Materials Data on RbSr2Br5 by Materials Project. United States. doi:https://doi.org/10.17188/1699512
The Materials Project. 2020. "Materials Data on RbSr2Br5 by Materials Project". United States. doi:https://doi.org/10.17188/1699512. https://www.osti.gov/servlets/purl/1699512. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1699512,
title = {Materials Data on RbSr2Br5 by Materials Project},
author = {The Materials Project},
abstractNote = {RbSr2Br5 crystallizes in the monoclinic P2_1/c 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 3.40–3.85 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Sr–Br bond distances ranging from 3.19–3.35 Å. In the second Sr2+ site, Sr2+ is bonded to seven Br1- atoms to form distorted edge-sharing SrBr7 pentagonal bipyramids. There are a spread of Sr–Br bond distances ranging from 3.08–3.28 Å. There are five inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to two equivalent Rb1+ and two equivalent Sr2+ atoms to form distorted BrRb2Sr2 tetrahedra that share corners with four equivalent BrRb2Sr3 square pyramids, corners with six BrRb2Sr2 tetrahedra, corners with two equivalent BrRb2Sr3 trigonal bipyramids, an edgeedge with one BrRb2Sr3 square pyramid, an edgeedge with one BrRb2Sr2 tetrahedra, and edges with two equivalent BrRb2Sr3 trigonal bipyramids. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Sr2+ atoms. In the third Br1- site, Br1- is bonded to two equivalent Rb1+ and three Sr2+ atoms to form distorted BrRb2Sr3 trigonal bipyramids that share corners with four equivalent BrRb2Sr3 square pyramids, corners with four BrRb2Sr2 tetrahedra, corners with four equivalent BrRb2Sr3 trigonal bipyramids, an edgeedge with one BrRb2Sr3 square pyramid, edges with four BrSr4 tetrahedra, and a faceface with one BrRb2Sr3 square pyramid. In the fourth Br1- site, Br1- is bonded to two equivalent Rb1+ and three Sr2+ atoms to form distorted BrRb2Sr3 square pyramids that share corners with eight BrRb2Sr2 tetrahedra, corners with four equivalent BrRb2Sr3 trigonal bipyramids, edges with two equivalent BrRb2Sr3 square pyramids, edges with two BrRb2Sr2 tetrahedra, an edgeedge with one BrRb2Sr3 trigonal bipyramid, and a faceface with one BrRb2Sr3 trigonal bipyramid. In the fifth Br1- site, Br1- is bonded to four Sr2+ atoms to form distorted BrSr4 tetrahedra that share corners with four equivalent BrRb2Sr3 square pyramids, corners with six BrRb2Sr2 tetrahedra, corners with two equivalent BrRb2Sr3 trigonal bipyramids, an edgeedge with one BrRb2Sr3 square pyramid, an edgeedge with one BrSr4 tetrahedra, and edges with two equivalent BrRb2Sr3 trigonal bipyramids.},
doi = {10.17188/1699512},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}