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Title: Materials Data on Li3Nb by Materials Project

Abstract

Li3Nb is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to eight equivalent Li and four equivalent Nb atoms to form distorted LiLi8Nb4 cuboctahedra that share corners with four equivalent NbLi12 cuboctahedra, corners with fourteen equivalent LiLi8Nb4 cuboctahedra, edges with six equivalent NbLi12 cuboctahedra, edges with twelve equivalent LiLi8Nb4 cuboctahedra, faces with four equivalent NbLi12 cuboctahedra, and faces with sixteen equivalent LiLi8Nb4 cuboctahedra. There are a spread of Li–Li bond distances ranging from 2.80–2.89 Å. There are two shorter (2.81 Å) and two longer (2.87 Å) Li–Nb bond lengths. Nb is bonded to twelve equivalent Li atoms to form NbLi12 cuboctahedra that share corners with six equivalent NbLi12 cuboctahedra, corners with twelve equivalent LiLi8Nb4 cuboctahedra, edges with eighteen equivalent LiLi8Nb4 cuboctahedra, faces with eight equivalent NbLi12 cuboctahedra, and faces with twelve equivalent LiLi8Nb4 cuboctahedra.

Publication Date:
Other Number(s):
mp-1185216
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; Li3Nb; Li-Nb
OSTI Identifier:
1744358
DOI:
https://doi.org/10.17188/1744358

Citation Formats

The Materials Project. Materials Data on Li3Nb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744358.
The Materials Project. Materials Data on Li3Nb by Materials Project. United States. doi:https://doi.org/10.17188/1744358
The Materials Project. 2020. "Materials Data on Li3Nb by Materials Project". United States. doi:https://doi.org/10.17188/1744358. https://www.osti.gov/servlets/purl/1744358. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744358,
title = {Materials Data on Li3Nb by Materials Project},
author = {The Materials Project},
abstractNote = {Li3Nb is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to eight equivalent Li and four equivalent Nb atoms to form distorted LiLi8Nb4 cuboctahedra that share corners with four equivalent NbLi12 cuboctahedra, corners with fourteen equivalent LiLi8Nb4 cuboctahedra, edges with six equivalent NbLi12 cuboctahedra, edges with twelve equivalent LiLi8Nb4 cuboctahedra, faces with four equivalent NbLi12 cuboctahedra, and faces with sixteen equivalent LiLi8Nb4 cuboctahedra. There are a spread of Li–Li bond distances ranging from 2.80–2.89 Å. There are two shorter (2.81 Å) and two longer (2.87 Å) Li–Nb bond lengths. Nb is bonded to twelve equivalent Li atoms to form NbLi12 cuboctahedra that share corners with six equivalent NbLi12 cuboctahedra, corners with twelve equivalent LiLi8Nb4 cuboctahedra, edges with eighteen equivalent LiLi8Nb4 cuboctahedra, faces with eight equivalent NbLi12 cuboctahedra, and faces with twelve equivalent LiLi8Nb4 cuboctahedra.},
doi = {10.17188/1744358},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}