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Title: Materials Data on ThSiO4 by Materials Project

Abstract

ThSiO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Th–O bond distances ranging from 2.40–2.85 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.64 Å) and one longer (1.65 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Th4+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Th4+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Th4+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one Si4+ atom.

Publication Date:
Other Number(s):
mp-7651
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; ThSiO4; O-Si-Th
OSTI Identifier:
1295645
DOI:
10.17188/1295645

Citation Formats

The Materials Project. Materials Data on ThSiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1295645.
The Materials Project. Materials Data on ThSiO4 by Materials Project. United States. doi:10.17188/1295645.
The Materials Project. 2020. "Materials Data on ThSiO4 by Materials Project". United States. doi:10.17188/1295645. https://www.osti.gov/servlets/purl/1295645. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1295645,
title = {Materials Data on ThSiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {ThSiO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Th–O bond distances ranging from 2.40–2.85 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.64 Å) and one longer (1.65 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Th4+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Th4+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Th4+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one Si4+ atom.},
doi = {10.17188/1295645},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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