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Title: Materials Data on LiDy2Br5 by Materials Project

Abstract

LiDy2Br5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li is bonded to six Br atoms to form corner-sharing LiBr6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Li–Br bond distances ranging from 2.57–3.03 Å. Dy is bonded in a 7-coordinate geometry to seven Br atoms. There are a spread of Dy–Br bond distances ranging from 2.75–3.44 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to two equivalent Li and two equivalent Dy atoms. In the second Br site, Br is bonded to four equivalent Dy atoms to form distorted BrDy4 trigonal pyramids that share corners with eight equivalent BrLiDy3 tetrahedra, edges with two equivalent BrLiDy3 tetrahedra, and edges with two equivalent BrDy4 trigonal pyramids. In the third Br site, Br is bonded to one Li and three equivalent Dy atoms to form distorted BrLiDy3 tetrahedra that share corners with three equivalent BrLiDy3 tetrahedra, corners with four equivalent BrDy4 trigonal pyramids, edges with two equivalent BrLiDy3 tetrahedra, and an edgeedge with one BrDy4 trigonal pyramid.

Publication Date:
Other Number(s):
mp-29431
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; LiDy2Br5; Br-Dy-Li
OSTI Identifier:
1203831
DOI:
https://doi.org/10.17188/1203831

Citation Formats

The Materials Project. Materials Data on LiDy2Br5 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1203831.
The Materials Project. Materials Data on LiDy2Br5 by Materials Project. United States. doi:https://doi.org/10.17188/1203831
The Materials Project. 2017. "Materials Data on LiDy2Br5 by Materials Project". United States. doi:https://doi.org/10.17188/1203831. https://www.osti.gov/servlets/purl/1203831. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1203831,
title = {Materials Data on LiDy2Br5 by Materials Project},
author = {The Materials Project},
abstractNote = {LiDy2Br5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li is bonded to six Br atoms to form corner-sharing LiBr6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Li–Br bond distances ranging from 2.57–3.03 Å. Dy is bonded in a 7-coordinate geometry to seven Br atoms. There are a spread of Dy–Br bond distances ranging from 2.75–3.44 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to two equivalent Li and two equivalent Dy atoms. In the second Br site, Br is bonded to four equivalent Dy atoms to form distorted BrDy4 trigonal pyramids that share corners with eight equivalent BrLiDy3 tetrahedra, edges with two equivalent BrLiDy3 tetrahedra, and edges with two equivalent BrDy4 trigonal pyramids. In the third Br site, Br is bonded to one Li and three equivalent Dy atoms to form distorted BrLiDy3 tetrahedra that share corners with three equivalent BrLiDy3 tetrahedra, corners with four equivalent BrDy4 trigonal pyramids, edges with two equivalent BrLiDy3 tetrahedra, and an edgeedge with one BrDy4 trigonal pyramid.},
doi = {10.17188/1203831},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}