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Title: Materials Data on Sr3LiBiO6 by Materials Project

Abstract

LiSr3BiO6 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.21–2.52 Å. There are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–3.01 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–3.03 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–3.05 Å. Bi5+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.13 Å) and three longer (2.14 Å) Bi–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to one Li1+, four Sr2+, and one Bi5+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to one Li1+, four Sr2+, and one Bi5+ atom. In themore » third O2- site, O2- is bonded in a 6-coordinate geometry to one Li1+, four Sr2+, and one Bi5+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to one Li1+, four Sr2+, and one Bi5+ atom. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to one Li1+, four Sr2+, and one Bi5+ atom. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to one Li1+, four Sr2+, and one Bi5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1218428
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr3LiBiO6; Bi-Li-O-Sr
OSTI Identifier:
1712250
DOI:
https://doi.org/10.17188/1712250

Citation Formats

The Materials Project. Materials Data on Sr3LiBiO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1712250.
The Materials Project. Materials Data on Sr3LiBiO6 by Materials Project. United States. doi:https://doi.org/10.17188/1712250
The Materials Project. 2020. "Materials Data on Sr3LiBiO6 by Materials Project". United States. doi:https://doi.org/10.17188/1712250. https://www.osti.gov/servlets/purl/1712250. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1712250,
title = {Materials Data on Sr3LiBiO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSr3BiO6 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.21–2.52 Å. There are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–3.01 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–3.03 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–3.05 Å. Bi5+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.13 Å) and three longer (2.14 Å) Bi–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to one Li1+, four Sr2+, and one Bi5+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to one Li1+, four Sr2+, and one Bi5+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to one Li1+, four Sr2+, and one Bi5+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to one Li1+, four Sr2+, and one Bi5+ atom. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to one Li1+, four Sr2+, and one Bi5+ atom. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to one Li1+, four Sr2+, and one Bi5+ atom.},
doi = {10.17188/1712250},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}