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Title: Materials Data on ZrSiO4 by Materials Project

Abstract

ZrSiO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.07–2.53 Å. Si4+ is bonded to six O2- atoms to form distorted edge-sharing SiO6 octahedra. There are a spread of Si–O bond distances ranging from 1.73–1.91 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zr4+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zr4+ and one Si4+ atom.

Publication Date:
Other Number(s):
mp-1020588
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; ZrSiO4; O-Si-Zr
OSTI Identifier:
1351496
DOI:
10.17188/1351496

Citation Formats

The Materials Project. Materials Data on ZrSiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1351496.
The Materials Project. Materials Data on ZrSiO4 by Materials Project. United States. doi:10.17188/1351496.
The Materials Project. 2020. "Materials Data on ZrSiO4 by Materials Project". United States. doi:10.17188/1351496. https://www.osti.gov/servlets/purl/1351496. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1351496,
title = {Materials Data on ZrSiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrSiO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.07–2.53 Å. Si4+ is bonded to six O2- atoms to form distorted edge-sharing SiO6 octahedra. There are a spread of Si–O bond distances ranging from 1.73–1.91 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zr4+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zr4+ and one Si4+ atom.},
doi = {10.17188/1351496},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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