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Title: Materials Data on LiYb3 by Materials Project

Abstract

LiYb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Yb atoms to form LiYb12 cuboctahedra that share corners with six equivalent LiYb12 cuboctahedra, corners with twelve equivalent YbLi4Yb8 cuboctahedra, edges with eighteen equivalent YbLi4Yb8 cuboctahedra, faces with eight equivalent LiYb12 cuboctahedra, and faces with twelve equivalent YbLi4Yb8 cuboctahedra. There are six shorter (3.71 Å) and six longer (3.72 Å) Li–Yb bond lengths. Yb is bonded to four equivalent Li and eight equivalent Yb atoms to form YbLi4Yb8 cuboctahedra that share corners with four equivalent LiYb12 cuboctahedra, corners with fourteen equivalent YbLi4Yb8 cuboctahedra, edges with six equivalent LiYb12 cuboctahedra, edges with twelve equivalent YbLi4Yb8 cuboctahedra, faces with four equivalent LiYb12 cuboctahedra, and faces with sixteen equivalent YbLi4Yb8 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.68–3.77 Å.

Publication Date:
Other Number(s):
mp-1185470
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; LiYb3; Li-Yb
OSTI Identifier:
1729594
DOI:
https://doi.org/10.17188/1729594

Citation Formats

The Materials Project. Materials Data on LiYb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729594.
The Materials Project. Materials Data on LiYb3 by Materials Project. United States. doi:https://doi.org/10.17188/1729594
The Materials Project. 2020. "Materials Data on LiYb3 by Materials Project". United States. doi:https://doi.org/10.17188/1729594. https://www.osti.gov/servlets/purl/1729594. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1729594,
title = {Materials Data on LiYb3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiYb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Yb atoms to form LiYb12 cuboctahedra that share corners with six equivalent LiYb12 cuboctahedra, corners with twelve equivalent YbLi4Yb8 cuboctahedra, edges with eighteen equivalent YbLi4Yb8 cuboctahedra, faces with eight equivalent LiYb12 cuboctahedra, and faces with twelve equivalent YbLi4Yb8 cuboctahedra. There are six shorter (3.71 Å) and six longer (3.72 Å) Li–Yb bond lengths. Yb is bonded to four equivalent Li and eight equivalent Yb atoms to form YbLi4Yb8 cuboctahedra that share corners with four equivalent LiYb12 cuboctahedra, corners with fourteen equivalent YbLi4Yb8 cuboctahedra, edges with six equivalent LiYb12 cuboctahedra, edges with twelve equivalent YbLi4Yb8 cuboctahedra, faces with four equivalent LiYb12 cuboctahedra, and faces with sixteen equivalent YbLi4Yb8 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.68–3.77 Å.},
doi = {10.17188/1729594},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}