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Title: Materials Data on Er2MgSe4 by Materials Project

Abstract

MgEr2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Se2- atoms to form MgSe4 tetrahedra that share corners with twelve equivalent ErSe6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mg–Se bond lengths are 2.62 Å. Er3+ is bonded to six equivalent Se2- atoms to form ErSe6 octahedra that share corners with six equivalent MgSe4 tetrahedra and edges with six equivalent ErSe6 octahedra. All Er–Se bond lengths are 2.85 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Er3+ atoms.

Publication Date:
Other Number(s):
mp-1103561
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; Er2MgSe4; Er-Mg-Se
OSTI Identifier:
1716905
DOI:
https://doi.org/10.17188/1716905

Citation Formats

The Materials Project. Materials Data on Er2MgSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1716905.
The Materials Project. Materials Data on Er2MgSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1716905
The Materials Project. 2020. "Materials Data on Er2MgSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1716905. https://www.osti.gov/servlets/purl/1716905. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1716905,
title = {Materials Data on Er2MgSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgEr2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Se2- atoms to form MgSe4 tetrahedra that share corners with twelve equivalent ErSe6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mg–Se bond lengths are 2.62 Å. Er3+ is bonded to six equivalent Se2- atoms to form ErSe6 octahedra that share corners with six equivalent MgSe4 tetrahedra and edges with six equivalent ErSe6 octahedra. All Er–Se bond lengths are 2.85 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Er3+ atoms.},
doi = {10.17188/1716905},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}