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Title: Materials Data on Zn2SiO4 by Materials Project

Abstract

Zn2SiO4 is Ilmenite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with four equivalent ZnO6 octahedra, corners with two equivalent SiO4 tetrahedra, edges with four ZnO6 octahedra, and edges with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–64°. There are a spread of Zn–O bond distances ranging from 2.12–2.20 Å. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with eight ZnO6 octahedra, corners with four equivalent SiO4 tetrahedra, edges with two equivalent ZnO6 octahedra, and an edgeedge with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–64°. There are a spread of Zn–O bond distances ranging from 2.08–2.29 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six ZnO6 octahedra and edges with three ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 55–62°. There are a spread of Si–O bond distances ranging from 1.64–1.68 Å. There are three inequivalent O2- sites. In the first O2-more » site, O2- is bonded in a 4-coordinate geometry to three Zn2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Zn2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Zn2+ and one Si4+ atom.« less

Publication Date:
Other Number(s):
mp-1020609
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; Zn2SiO4; O-Si-Zn
OSTI Identifier:
1351434
DOI:
10.17188/1351434

Citation Formats

The Materials Project. Materials Data on Zn2SiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1351434.
The Materials Project. Materials Data on Zn2SiO4 by Materials Project. United States. doi:10.17188/1351434.
The Materials Project. 2020. "Materials Data on Zn2SiO4 by Materials Project". United States. doi:10.17188/1351434. https://www.osti.gov/servlets/purl/1351434. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1351434,
title = {Materials Data on Zn2SiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn2SiO4 is Ilmenite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with four equivalent ZnO6 octahedra, corners with two equivalent SiO4 tetrahedra, edges with four ZnO6 octahedra, and edges with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–64°. There are a spread of Zn–O bond distances ranging from 2.12–2.20 Å. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with eight ZnO6 octahedra, corners with four equivalent SiO4 tetrahedra, edges with two equivalent ZnO6 octahedra, and an edgeedge with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–64°. There are a spread of Zn–O bond distances ranging from 2.08–2.29 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six ZnO6 octahedra and edges with three ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 55–62°. There are a spread of Si–O bond distances ranging from 1.64–1.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Zn2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Zn2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Zn2+ and one Si4+ atom.},
doi = {10.17188/1351434},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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