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Title: Materials Data on Rb2TeBr6 by Materials Project

Abstract

Rb2TeBr6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Rb1+ is bonded to twelve Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with four equivalent TeBr6 octahedra. There are a spread of Rb–Br bond distances ranging from 3.78–4.11 Å. Te4+ is bonded to six Br1- atoms to form TeBr6 octahedra that share faces with eight equivalent RbBr12 cuboctahedra. All Te–Br bond lengths are 2.74 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Te4+ atom. In the second Br1- site, Br1- is bonded to four equivalent Rb1+ and one Te4+ atom to form a mixture of distorted corner and edge-sharing BrRb4Te square pyramids.

Publication Date:
Other Number(s):
mp-570324
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; Rb2TeBr6; Br-Rb-Te
OSTI Identifier:
1275639
DOI:
10.17188/1275639

Citation Formats

The Materials Project. Materials Data on Rb2TeBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275639.
The Materials Project. Materials Data on Rb2TeBr6 by Materials Project. United States. doi:10.17188/1275639.
The Materials Project. 2020. "Materials Data on Rb2TeBr6 by Materials Project". United States. doi:10.17188/1275639. https://www.osti.gov/servlets/purl/1275639. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275639,
title = {Materials Data on Rb2TeBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2TeBr6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Rb1+ is bonded to twelve Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with four equivalent TeBr6 octahedra. There are a spread of Rb–Br bond distances ranging from 3.78–4.11 Å. Te4+ is bonded to six Br1- atoms to form TeBr6 octahedra that share faces with eight equivalent RbBr12 cuboctahedra. All Te–Br bond lengths are 2.74 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Te4+ atom. In the second Br1- site, Br1- is bonded to four equivalent Rb1+ and one Te4+ atom to form a mixture of distorted corner and edge-sharing BrRb4Te square pyramids.},
doi = {10.17188/1275639},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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