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Title: Materials Data on RbInBr3 by Materials Project

Abstract

RbInBr3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. There are three shorter (3.56 Å) and three longer (3.78 Å) Rb–Br bond lengths. In2+ is bonded to six equivalent Br1- atoms to form corner-sharing InBr6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are three shorter (2.89 Å) and three longer (2.92 Å) In–Br bond lengths. Br1- is bonded to two equivalent Rb1+ and two equivalent In2+ atoms to form a mixture of distorted edge and corner-sharing BrRb2In2 trigonal pyramids.

Publication Date:
Other Number(s):
mp-998800
DOE Contract Number:  
AC02-05CH11231
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Br-In-Rb; RbInBr3; crystal structure
OSTI Identifier:
1317401
DOI:
https://doi.org/10.17188/1317401

Citation Formats

Materials Data on RbInBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317401.
Materials Data on RbInBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1317401
2020. "Materials Data on RbInBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1317401. https://www.osti.gov/servlets/purl/1317401. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1317401,
title = {Materials Data on RbInBr3 by Materials Project},
abstractNote = {RbInBr3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. There are three shorter (3.56 Å) and three longer (3.78 Å) Rb–Br bond lengths. In2+ is bonded to six equivalent Br1- atoms to form corner-sharing InBr6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are three shorter (2.89 Å) and three longer (2.92 Å) In–Br bond lengths. Br1- is bonded to two equivalent Rb1+ and two equivalent In2+ atoms to form a mixture of distorted edge and corner-sharing BrRb2In2 trigonal pyramids.},
doi = {10.17188/1317401},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}