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Title: Materials Data on ZnSeO5 by Materials Project

Abstract

ZnSeO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Zn is bonded to six O atoms to form ZnO6 octahedra that share corners with two equivalent ZnO6 octahedra and corners with four equivalent SeO4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Zn–O bond distances ranging from 2.04–2.16 Å. Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with four equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 49–58°. There is two shorter (1.68 Å) and two longer (1.69 Å) Se–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Zn and one Se atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Zn and one Se atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Zn atoms.

Publication Date:
Other Number(s):
mp-1207401
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; ZnSeO5; O-Se-Zn
OSTI Identifier:
1744260
DOI:
https://doi.org/10.17188/1744260

Citation Formats

The Materials Project. Materials Data on ZnSeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744260.
The Materials Project. Materials Data on ZnSeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1744260
The Materials Project. 2020. "Materials Data on ZnSeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1744260. https://www.osti.gov/servlets/purl/1744260. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744260,
title = {Materials Data on ZnSeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnSeO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Zn is bonded to six O atoms to form ZnO6 octahedra that share corners with two equivalent ZnO6 octahedra and corners with four equivalent SeO4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Zn–O bond distances ranging from 2.04–2.16 Å. Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with four equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 49–58°. There is two shorter (1.68 Å) and two longer (1.69 Å) Se–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Zn and one Se atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Zn and one Se atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Zn atoms.},
doi = {10.17188/1744260},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}