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Title: Materials Data on ZnSeO4 by Materials Project

Abstract

ZnSeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent SeO4 tetrahedra and edges with two equivalent ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 2.00–2.32 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 49–56°. There are a spread of Se–O bond distances ranging from 1.67–1.71 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one Se6+ atom.

Publication Date:
Other Number(s):
mp-778924
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; ZnSeO4; O-Se-Zn
OSTI Identifier:
1305979
DOI:
10.17188/1305979

Citation Formats

The Materials Project. Materials Data on ZnSeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305979.
The Materials Project. Materials Data on ZnSeO4 by Materials Project. United States. doi:10.17188/1305979.
The Materials Project. 2020. "Materials Data on ZnSeO4 by Materials Project". United States. doi:10.17188/1305979. https://www.osti.gov/servlets/purl/1305979. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1305979,
title = {Materials Data on ZnSeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnSeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent SeO4 tetrahedra and edges with two equivalent ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 2.00–2.32 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 49–56°. There are a spread of Se–O bond distances ranging from 1.67–1.71 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one Se6+ atom.},
doi = {10.17188/1305979},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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