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Title: Materials Data on Li2BeSiO4 by Materials Project

Abstract

Li2BeSiO4 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent BeO4 tetrahedra, corners with four equivalent LiO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one BeO4 tetrahedra. There is two shorter (1.98 Å) and two longer (1.99 Å) Li–O bond length. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent SiO4 tetrahedra, corners with four equivalent LiO4 tetrahedra, corners with four equivalent BeO4 tetrahedra, and an edgeedge with one SiO4 tetrahedra. There are two shorter (1.95 Å) and two longer (2.09 Å) Li–O bond lengths. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra, corners with six LiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.67 Å) Be–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra, corners withmore » six LiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Li1+, one Be2+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing OLi2BeSi trigonal pyramids. In the second O2- site, O2- is bonded to two Li1+, one Be2+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing OLi2BeSi trigonal pyramids.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554159
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; Li2BeSiO4; Be-Li-O-Si
OSTI Identifier:
1267771
DOI:
10.17188/1267771

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li2BeSiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267771.
Persson, Kristin, & Project, Materials. Materials Data on Li2BeSiO4 by Materials Project. United States. doi:10.17188/1267771.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li2BeSiO4 by Materials Project". United States. doi:10.17188/1267771. https://www.osti.gov/servlets/purl/1267771. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267771,
title = {Materials Data on Li2BeSiO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li2BeSiO4 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent BeO4 tetrahedra, corners with four equivalent LiO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one BeO4 tetrahedra. There is two shorter (1.98 Å) and two longer (1.99 Å) Li–O bond length. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent SiO4 tetrahedra, corners with four equivalent LiO4 tetrahedra, corners with four equivalent BeO4 tetrahedra, and an edgeedge with one SiO4 tetrahedra. There are two shorter (1.95 Å) and two longer (2.09 Å) Li–O bond lengths. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra, corners with six LiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.67 Å) Be–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra, corners with six LiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Li1+, one Be2+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing OLi2BeSi trigonal pyramids. In the second O2- site, O2- is bonded to two Li1+, one Be2+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing OLi2BeSi trigonal pyramids.},
doi = {10.17188/1267771},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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