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Title: Materials Data on PmMgSe3 by Materials Project

Abstract

MgPmSe3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Se+1.67- atoms to form MgSe6 octahedra that share corners with nine equivalent PmSe6 octahedra, edges with three equivalent MgSe6 octahedra, and a faceface with one PmSe6 octahedra. The corner-sharing octahedra tilt angles range from 37–57°. There are three shorter (2.72 Å) and three longer (2.77 Å) Mg–Se bond lengths. Pm3+ is bonded to six equivalent Se+1.67- atoms to form PmSe6 octahedra that share corners with nine equivalent MgSe6 octahedra, edges with three equivalent PmSe6 octahedra, and a faceface with one MgSe6 octahedra. The corner-sharing octahedra tilt angles range from 37–57°. There are three shorter (2.92 Å) and three longer (2.95 Å) Pm–Se bond lengths. Se+1.67- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two equivalent Pm3+ atoms.

Publication Date:
Other Number(s):
mp-1232203
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; PmMgSe3; Mg-Pm-Se
OSTI Identifier:
1705402
DOI:
https://doi.org/10.17188/1705402

Citation Formats

The Materials Project. Materials Data on PmMgSe3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1705402.
The Materials Project. Materials Data on PmMgSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1705402
The Materials Project. 2019. "Materials Data on PmMgSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1705402. https://www.osti.gov/servlets/purl/1705402. Pub date:Wed Jan 16 00:00:00 EST 2019
@article{osti_1705402,
title = {Materials Data on PmMgSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgPmSe3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Se+1.67- atoms to form MgSe6 octahedra that share corners with nine equivalent PmSe6 octahedra, edges with three equivalent MgSe6 octahedra, and a faceface with one PmSe6 octahedra. The corner-sharing octahedra tilt angles range from 37–57°. There are three shorter (2.72 Å) and three longer (2.77 Å) Mg–Se bond lengths. Pm3+ is bonded to six equivalent Se+1.67- atoms to form PmSe6 octahedra that share corners with nine equivalent MgSe6 octahedra, edges with three equivalent PmSe6 octahedra, and a faceface with one MgSe6 octahedra. The corner-sharing octahedra tilt angles range from 37–57°. There are three shorter (2.92 Å) and three longer (2.95 Å) Pm–Se bond lengths. Se+1.67- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two equivalent Pm3+ atoms.},
doi = {10.17188/1705402},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}