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Title: Materials Data on LiInO2 by Materials Project

Abstract

LiInO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent InO6 octahedra, corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with eight equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are four shorter (2.20 Å) and two longer (2.54 Å) Li–O bond lengths. In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent InO6 octahedra, edges with four equivalent InO6 octahedra, and edges with eight equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. All In–O bond lengths are 2.20 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three equivalent In3+ atoms to form a mixture of corner and edge-sharing OLi3In3 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the second O2- site, O2- is bonded to three equivalent Li1+ and three equivalent In3+ atoms to form a mixture of corner and edge-sharing OLi3In3 octahedra. The corner-sharing octahedramore » tilt angles range from 0–9°. In the third O2- site, O2- is bonded to three equivalent Li1+ and three equivalent In3+ atoms to form a mixture of corner and edge-sharing OLi3In3 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the fourth O2- site, O2- is bonded to three equivalent Li1+ and three equivalent In3+ atoms to form a mixture of corner and edge-sharing OLi3In3 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are two shorter (2.20 Å) and one longer (2.54 Å) O–Li bond lengths.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-5488
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; LiInO2; In-Li-O
OSTI Identifier:
1267362
DOI:
10.17188/1267362

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LiInO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267362.
Persson, Kristin, & Project, Materials. Materials Data on LiInO2 by Materials Project. United States. doi:10.17188/1267362.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LiInO2 by Materials Project". United States. doi:10.17188/1267362. https://www.osti.gov/servlets/purl/1267362. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1267362,
title = {Materials Data on LiInO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LiInO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent InO6 octahedra, corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with eight equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are four shorter (2.20 Å) and two longer (2.54 Å) Li–O bond lengths. In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent InO6 octahedra, edges with four equivalent InO6 octahedra, and edges with eight equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. All In–O bond lengths are 2.20 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three equivalent In3+ atoms to form a mixture of corner and edge-sharing OLi3In3 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the second O2- site, O2- is bonded to three equivalent Li1+ and three equivalent In3+ atoms to form a mixture of corner and edge-sharing OLi3In3 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the third O2- site, O2- is bonded to three equivalent Li1+ and three equivalent In3+ atoms to form a mixture of corner and edge-sharing OLi3In3 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the fourth O2- site, O2- is bonded to three equivalent Li1+ and three equivalent In3+ atoms to form a mixture of corner and edge-sharing OLi3In3 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are two shorter (2.20 Å) and one longer (2.54 Å) O–Li bond lengths.},
doi = {10.17188/1267362},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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