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Title: Materials Data on Li2CdSiO4 by Materials Project

Abstract

Li2CdSiO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent CdO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.03 Å. Cd2+ is bonded to four O2- atoms to form CdO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra and corners with eight equivalent LiO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.20–2.27 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent CdO4 tetrahedra and corners with eight equivalent LiO4 tetrahedra. There is three shorter (1.65 Å) and one longer (1.67 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Cd2+, and one Si4+ atom to form a mixture of distorted corner and edge-sharing OLi2CdSi tetrahedra. In the second O2- site, O2- is bonded to two equivalent Li1+, one Cd2+, and one Si4+ atom to form distorted corner-sharing OLi2CdSi tetrahedra. Inmore » the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Cd2+, and one Si4+ atom.« less

Publication Date:
Other Number(s):
mp-557293
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; Li2CdSiO4; Cd-Li-O-Si
OSTI Identifier:
1269776
DOI:
10.17188/1269776

Citation Formats

The Materials Project. Materials Data on Li2CdSiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269776.
The Materials Project. Materials Data on Li2CdSiO4 by Materials Project. United States. doi:10.17188/1269776.
The Materials Project. 2020. "Materials Data on Li2CdSiO4 by Materials Project". United States. doi:10.17188/1269776. https://www.osti.gov/servlets/purl/1269776. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1269776,
title = {Materials Data on Li2CdSiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2CdSiO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent CdO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.03 Å. Cd2+ is bonded to four O2- atoms to form CdO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra and corners with eight equivalent LiO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.20–2.27 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent CdO4 tetrahedra and corners with eight equivalent LiO4 tetrahedra. There is three shorter (1.65 Å) and one longer (1.67 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Cd2+, and one Si4+ atom to form a mixture of distorted corner and edge-sharing OLi2CdSi tetrahedra. In the second O2- site, O2- is bonded to two equivalent Li1+, one Cd2+, and one Si4+ atom to form distorted corner-sharing OLi2CdSi tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Cd2+, and one Si4+ atom.},
doi = {10.17188/1269776},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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