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Title: Materials Data on MgSeO3 by Materials Project

Abstract

MgSeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Mg–O bond distances ranging from 2.12–2.21 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.75 Å) and two longer (1.76 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Mg2+ and one Se4+ atom.

Publication Date:
Other Number(s):
mp-12271
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; MgSeO3; Mg-O-Se
OSTI Identifier:
1188681
DOI:
10.17188/1188681

Citation Formats

The Materials Project. Materials Data on MgSeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188681.
The Materials Project. Materials Data on MgSeO3 by Materials Project. United States. doi:10.17188/1188681.
The Materials Project. 2020. "Materials Data on MgSeO3 by Materials Project". United States. doi:10.17188/1188681. https://www.osti.gov/servlets/purl/1188681. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188681,
title = {Materials Data on MgSeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Mg–O bond distances ranging from 2.12–2.21 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.75 Å) and two longer (1.76 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Mg2+ and one Se4+ atom.},
doi = {10.17188/1188681},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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