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Title: Materials Data on RbLi7(SiO4)2 by Materials Project

Abstract

RbLi7(SiO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.09 Å. There are six inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.92–2.63 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.06 Å. In the third Li1+ site, Li1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.91–2.57 Å. In the fourth Li1+ site, Li1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.04 Å) Li–O bond lengths. In the fifth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–2.06 Å.more » In the sixth Li1+ site, Li1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.09 Å) Li–O bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four LiO4 tetrahedra. All Si–O bond lengths are 1.66 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four LiO4 tetrahedra. All Si–O bond lengths are 1.66 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to four Li1+ and one Si4+ atom to form a mixture of distorted corner and edge-sharing OLi4Si trigonal bipyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+, four Li1+, and one Si4+ atom. In the third O2- site, O2- is bonded to four Li1+ and one Si4+ atom to form a mixture of corner and edge-sharing OLi4Si trigonal bipyramids. In the fourth O2- site, O2- is bonded to four Li1+ and one Si4+ atom to form a mixture of corner and edge-sharing OLi4Si trigonal bipyramids. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+, four Li1+, and one Si4+ atom. In the sixth O2- site, O2- is bonded to four Li1+ and one Si4+ atom to form a mixture of corner and edge-sharing OLi4Si trigonal bipyramids.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554752
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; RbLi7(SiO4)2; Li-O-Rb-Si
OSTI Identifier:
1268078
DOI:
10.17188/1268078

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on RbLi7(SiO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268078.
Persson, Kristin, & Project, Materials. Materials Data on RbLi7(SiO4)2 by Materials Project. United States. doi:10.17188/1268078.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on RbLi7(SiO4)2 by Materials Project". United States. doi:10.17188/1268078. https://www.osti.gov/servlets/purl/1268078. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1268078,
title = {Materials Data on RbLi7(SiO4)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RbLi7(SiO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.09 Å. There are six inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.92–2.63 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.06 Å. In the third Li1+ site, Li1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.91–2.57 Å. In the fourth Li1+ site, Li1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.04 Å) Li–O bond lengths. In the fifth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–2.06 Å. In the sixth Li1+ site, Li1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.09 Å) Li–O bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four LiO4 tetrahedra. All Si–O bond lengths are 1.66 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four LiO4 tetrahedra. All Si–O bond lengths are 1.66 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to four Li1+ and one Si4+ atom to form a mixture of distorted corner and edge-sharing OLi4Si trigonal bipyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+, four Li1+, and one Si4+ atom. In the third O2- site, O2- is bonded to four Li1+ and one Si4+ atom to form a mixture of corner and edge-sharing OLi4Si trigonal bipyramids. In the fourth O2- site, O2- is bonded to four Li1+ and one Si4+ atom to form a mixture of corner and edge-sharing OLi4Si trigonal bipyramids. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+, four Li1+, and one Si4+ atom. In the sixth O2- site, O2- is bonded to four Li1+ and one Si4+ atom to form a mixture of corner and edge-sharing OLi4Si trigonal bipyramids.},
doi = {10.17188/1268078},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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