DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on TbMgS3 by Materials Project

Abstract

MgTbS3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent S2- atoms to form MgS6 octahedra that share corners with nine equivalent TbS6 octahedra, edges with three equivalent MgS6 octahedra, and a faceface with one TbS6 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are three shorter (2.57 Å) and three longer (2.68 Å) Mg–S bond lengths. Tb4+ is bonded to six equivalent S2- atoms to form TbS6 octahedra that share corners with nine equivalent MgS6 octahedra, edges with three equivalent TbS6 octahedra, and a faceface with one MgS6 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are three shorter (2.72 Å) and three longer (2.76 Å) Tb–S bond lengths. S2- is bonded to two equivalent Mg2+ and two equivalent Tb4+ atoms to form a mixture of distorted edge and corner-sharing STb2Mg2 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1232232
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; TbMgS3; Mg-S-Tb
OSTI Identifier:
1707991
DOI:
https://doi.org/10.17188/1707991

Citation Formats

The Materials Project. Materials Data on TbMgS3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1707991.
The Materials Project. Materials Data on TbMgS3 by Materials Project. United States. doi:https://doi.org/10.17188/1707991
The Materials Project. 2019. "Materials Data on TbMgS3 by Materials Project". United States. doi:https://doi.org/10.17188/1707991. https://www.osti.gov/servlets/purl/1707991. Pub date:Wed Jan 16 00:00:00 EST 2019
@article{osti_1707991,
title = {Materials Data on TbMgS3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgTbS3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent S2- atoms to form MgS6 octahedra that share corners with nine equivalent TbS6 octahedra, edges with three equivalent MgS6 octahedra, and a faceface with one TbS6 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are three shorter (2.57 Å) and three longer (2.68 Å) Mg–S bond lengths. Tb4+ is bonded to six equivalent S2- atoms to form TbS6 octahedra that share corners with nine equivalent MgS6 octahedra, edges with three equivalent TbS6 octahedra, and a faceface with one MgS6 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are three shorter (2.72 Å) and three longer (2.76 Å) Tb–S bond lengths. S2- is bonded to two equivalent Mg2+ and two equivalent Tb4+ atoms to form a mixture of distorted edge and corner-sharing STb2Mg2 trigonal pyramids.},
doi = {10.17188/1707991},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}