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Title: Materials Data on Rb3Tm2Cu4Br13 by Materials Project

Abstract

Rb3Tm2Cu4Br13 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are four shorter (3.61 Å) and four longer (3.85 Å) Rb–Br bond lengths. Tm3+ is bonded to six equivalent Br1- atoms to form TmBr6 octahedra that share corners with six equivalent CuBr4 tetrahedra. All Tm–Br bond lengths are 2.78 Å. Cu1+ is bonded to four Br1- atoms to form CuBr4 tetrahedra that share corners with three equivalent TmBr6 octahedra and corners with three equivalent CuBr4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are one shorter (2.46 Å) and three longer (2.48 Å) Cu–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Tm3+, and one Cu1+ atom. In the second Br1- site, Br1- is bonded in a tetrahedral geometry to four equivalent Cu1+ atoms.

Publication Date:
Other Number(s):
mp-623862
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; Rb3Tm2Cu4Br13; Br-Cu-Rb-Tm
OSTI Identifier:
1278224
DOI:
10.17188/1278224

Citation Formats

The Materials Project. Materials Data on Rb3Tm2Cu4Br13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278224.
The Materials Project. Materials Data on Rb3Tm2Cu4Br13 by Materials Project. United States. doi:10.17188/1278224.
The Materials Project. 2020. "Materials Data on Rb3Tm2Cu4Br13 by Materials Project". United States. doi:10.17188/1278224. https://www.osti.gov/servlets/purl/1278224. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1278224,
title = {Materials Data on Rb3Tm2Cu4Br13 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3Tm2Cu4Br13 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are four shorter (3.61 Å) and four longer (3.85 Å) Rb–Br bond lengths. Tm3+ is bonded to six equivalent Br1- atoms to form TmBr6 octahedra that share corners with six equivalent CuBr4 tetrahedra. All Tm–Br bond lengths are 2.78 Å. Cu1+ is bonded to four Br1- atoms to form CuBr4 tetrahedra that share corners with three equivalent TmBr6 octahedra and corners with three equivalent CuBr4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are one shorter (2.46 Å) and three longer (2.48 Å) Cu–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Tm3+, and one Cu1+ atom. In the second Br1- site, Br1- is bonded in a tetrahedral geometry to four equivalent Cu1+ atoms.},
doi = {10.17188/1278224},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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