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Title: Materials Data on Sr2LiSiO4F by Materials Project

Abstract

Sr2LiSiO4F crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Li1+ is bonded to three O2- and two equivalent F1- atoms to form LiO3F2 square pyramids that share corners with two equivalent LiO3F2 square pyramids and corners with three equivalent SiO4 tetrahedra. There are two shorter (2.03 Å) and one longer (2.06 Å) Li–O bond lengths. Both Li–F bond lengths are 2.04 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to eight O2- and two equivalent F1- atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.10 Å. Both Sr–F bond lengths are 2.78 Å. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to eight O2- and two equivalent F1- atoms. There are a spread of Sr–O bond distances ranging from 2.37–2.90 Å. Both Sr–F bond lengths are 2.64 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent LiO3F2 square pyramids. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry tomore » one Li1+, four Sr2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Sr2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, four Sr2+, and one Si4+ atom. F1- is bonded in a distorted linear geometry to two equivalent Li1+ and four Sr2+ atoms.« less

Publication Date:
Other Number(s):
mp-556066
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; Sr2LiSiO4F; F-Li-O-Si-Sr
OSTI Identifier:
1269151
DOI:
10.17188/1269151

Citation Formats

The Materials Project. Materials Data on Sr2LiSiO4F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269151.
The Materials Project. Materials Data on Sr2LiSiO4F by Materials Project. United States. doi:10.17188/1269151.
The Materials Project. 2020. "Materials Data on Sr2LiSiO4F by Materials Project". United States. doi:10.17188/1269151. https://www.osti.gov/servlets/purl/1269151. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1269151,
title = {Materials Data on Sr2LiSiO4F by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2LiSiO4F crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Li1+ is bonded to three O2- and two equivalent F1- atoms to form LiO3F2 square pyramids that share corners with two equivalent LiO3F2 square pyramids and corners with three equivalent SiO4 tetrahedra. There are two shorter (2.03 Å) and one longer (2.06 Å) Li–O bond lengths. Both Li–F bond lengths are 2.04 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to eight O2- and two equivalent F1- atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.10 Å. Both Sr–F bond lengths are 2.78 Å. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to eight O2- and two equivalent F1- atoms. There are a spread of Sr–O bond distances ranging from 2.37–2.90 Å. Both Sr–F bond lengths are 2.64 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent LiO3F2 square pyramids. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, four Sr2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Sr2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, four Sr2+, and one Si4+ atom. F1- is bonded in a distorted linear geometry to two equivalent Li1+ and four Sr2+ atoms.},
doi = {10.17188/1269151},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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