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Title: Materials Data on ZnSiO3 by Materials Project

Abstract

ZnSiO3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra and edges with two equivalent ZnO4 tetrahedra. All Zn–O bond lengths are 1.97 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra and edges with two equivalent ZnO4 tetrahedra. There is two shorter (1.96 Å) and two longer (1.97 Å) Zn–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent SiO4 tetrahedra and corners with four ZnO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two Zn2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to twomore » Zn2+ and one Si4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1178612
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ZnSiO3; O-Si-Zn
OSTI Identifier:
1746631
DOI:
https://doi.org/10.17188/1746631

Citation Formats

The Materials Project. Materials Data on ZnSiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746631.
The Materials Project. Materials Data on ZnSiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1746631
The Materials Project. 2020. "Materials Data on ZnSiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1746631. https://www.osti.gov/servlets/purl/1746631. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1746631,
title = {Materials Data on ZnSiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnSiO3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra and edges with two equivalent ZnO4 tetrahedra. All Zn–O bond lengths are 1.97 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra and edges with two equivalent ZnO4 tetrahedra. There is two shorter (1.96 Å) and two longer (1.97 Å) Zn–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent SiO4 tetrahedra and corners with four ZnO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two Zn2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to two Zn2+ and one Si4+ atom.},
doi = {10.17188/1746631},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}