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Title: Materials Data on MgPSe3 by Materials Project

Abstract

MgPSe3 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three MgPSe3 sheets oriented in the (0, 0, 1) direction. Mg2+ is bonded to six equivalent Se2- atoms to form edge-sharing MgSe6 octahedra. All Mg–Se bond lengths are 2.77 Å. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.22 Å. Se2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg2+ and one P4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-30943
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; MgPSe3; Mg-P-Se
OSTI Identifier:
1205284
DOI:
https://doi.org/10.17188/1205284

Citation Formats

The Materials Project. Materials Data on MgPSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205284.
The Materials Project. Materials Data on MgPSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1205284
The Materials Project. 2020. "Materials Data on MgPSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1205284. https://www.osti.gov/servlets/purl/1205284. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205284,
title = {Materials Data on MgPSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgPSe3 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three MgPSe3 sheets oriented in the (0, 0, 1) direction. Mg2+ is bonded to six equivalent Se2- atoms to form edge-sharing MgSe6 octahedra. All Mg–Se bond lengths are 2.77 Å. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.22 Å. Se2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg2+ and one P4+ atom.},
doi = {10.17188/1205284},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}