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Title: Materials Data on MgSeO5 by Materials Project

Abstract

MgSeO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent MgO6 octahedra and corners with four equivalent SeO4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Mg–O bond distances ranging from 2.03–2.19 Å. Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°. There is two shorter (1.66 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 150 degrees geometry to two equivalent Mg atoms. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one Se atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Mg and one Se atom.

Authors:
Publication Date:
Other Number(s):
mp-1210605
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; MgSeO5; Mg-O-Se
OSTI Identifier:
1654134
DOI:
https://doi.org/10.17188/1654134

Citation Formats

The Materials Project. Materials Data on MgSeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1654134.
The Materials Project. Materials Data on MgSeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1654134
The Materials Project. 2020. "Materials Data on MgSeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1654134. https://www.osti.gov/servlets/purl/1654134. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1654134,
title = {Materials Data on MgSeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSeO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent MgO6 octahedra and corners with four equivalent SeO4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Mg–O bond distances ranging from 2.03–2.19 Å. Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°. There is two shorter (1.66 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 150 degrees geometry to two equivalent Mg atoms. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one Se atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Mg and one Se atom.},
doi = {10.17188/1654134},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}