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Title: Materials Data on Li2Y5In9 by Materials Project

Abstract

Li2Y5In9 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to eight In atoms. There are a spread of Li–In bond distances ranging from 2.83–3.31 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to six In atoms. There are a spread of Li–In bond distances ranging from 2.97–3.35 Å. There are four inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Y–In bond distances ranging from 3.21–3.32 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Y–In bond distances ranging from 3.21–3.34 Å. In the third Y site, Y is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Y–In bond distances ranging from 3.15–3.49 Å. In the fourth Y site, Y is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Y–In bond distances ranging from 3.16–3.39 Å. There are six inequivalent In sites. In themore » first In site, In is bonded in a 6-coordinate geometry to one Li, five Y, and two equivalent In atoms. Both In–In bond lengths are 3.03 Å. In the second In site, In is bonded in a 1-coordinate geometry to two equivalent Li and five Y atoms. In the third In site, In is bonded in a 1-coordinate geometry to two equivalent Li, five Y, and four In atoms. There are a spread of In–In bond distances ranging from 3.23–3.33 Å. In the fourth In site, In is bonded in a 10-coordinate geometry to two Li, five Y, and three In atoms. In the fifth In site, In is bonded in a distorted square pyramidal geometry to five Y and four equivalent In atoms. In the sixth In site, In is bonded in a 5-coordinate geometry to five Y atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-638690
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; Li2Y5In9; In-Li-Y
OSTI Identifier:
1279799
DOI:
10.17188/1279799

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li2Y5In9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279799.
Persson, Kristin, & Project, Materials. Materials Data on Li2Y5In9 by Materials Project. United States. doi:10.17188/1279799.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li2Y5In9 by Materials Project". United States. doi:10.17188/1279799. https://www.osti.gov/servlets/purl/1279799. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1279799,
title = {Materials Data on Li2Y5In9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li2Y5In9 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to eight In atoms. There are a spread of Li–In bond distances ranging from 2.83–3.31 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to six In atoms. There are a spread of Li–In bond distances ranging from 2.97–3.35 Å. There are four inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Y–In bond distances ranging from 3.21–3.32 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Y–In bond distances ranging from 3.21–3.34 Å. In the third Y site, Y is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Y–In bond distances ranging from 3.15–3.49 Å. In the fourth Y site, Y is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Y–In bond distances ranging from 3.16–3.39 Å. There are six inequivalent In sites. In the first In site, In is bonded in a 6-coordinate geometry to one Li, five Y, and two equivalent In atoms. Both In–In bond lengths are 3.03 Å. In the second In site, In is bonded in a 1-coordinate geometry to two equivalent Li and five Y atoms. In the third In site, In is bonded in a 1-coordinate geometry to two equivalent Li, five Y, and four In atoms. There are a spread of In–In bond distances ranging from 3.23–3.33 Å. In the fourth In site, In is bonded in a 10-coordinate geometry to two Li, five Y, and three In atoms. In the fifth In site, In is bonded in a distorted square pyramidal geometry to five Y and four equivalent In atoms. In the sixth In site, In is bonded in a 5-coordinate geometry to five Y atoms.},
doi = {10.17188/1279799},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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