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Title: Materials Data on Rb2LiDyBr6 by Materials Project

Abstract

Rb2LiDyBr6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm 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, faces with four equivalent LiBr6 octahedra, and faces with four equivalent DyBr6 octahedra. There are four shorter (3.91 Å) and eight longer (3.92 Å) Rb–Br bond lengths. Li1+ is bonded to six Br1- atoms to form LiBr6 octahedra that share corners with six equivalent DyBr6 octahedra and faces with eight equivalent RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.74 Å) and two longer (2.77 Å) Li–Br bond lengths. Dy3+ is bonded to six Br1- atoms to form DyBr6 octahedra that share corners with six equivalent LiBr6 octahedra and faces with eight equivalent RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–Br bond lengths are 2.79 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Li1+, and one Dy3+ atom. In the second Br1- site, Br1- is bonded in a distorted linear geometry to fourmore » equivalent Rb1+, one Li1+, and one Dy3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-567628
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; Rb2LiDyBr6; Br-Dy-Li-Rb
OSTI Identifier:
1273966
DOI:
https://doi.org/10.17188/1273966

Citation Formats

The Materials Project. Materials Data on Rb2LiDyBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273966.
The Materials Project. Materials Data on Rb2LiDyBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1273966
The Materials Project. 2020. "Materials Data on Rb2LiDyBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1273966. https://www.osti.gov/servlets/purl/1273966. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1273966,
title = {Materials Data on Rb2LiDyBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2LiDyBr6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm 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, faces with four equivalent LiBr6 octahedra, and faces with four equivalent DyBr6 octahedra. There are four shorter (3.91 Å) and eight longer (3.92 Å) Rb–Br bond lengths. Li1+ is bonded to six Br1- atoms to form LiBr6 octahedra that share corners with six equivalent DyBr6 octahedra and faces with eight equivalent RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.74 Å) and two longer (2.77 Å) Li–Br bond lengths. Dy3+ is bonded to six Br1- atoms to form DyBr6 octahedra that share corners with six equivalent LiBr6 octahedra and faces with eight equivalent RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–Br bond lengths are 2.79 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Li1+, and one Dy3+ atom. In the second Br1- site, Br1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Li1+, and one Dy3+ atom.},
doi = {10.17188/1273966},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}