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Title: Materials Data on Sr(TbSe2)2 by Materials Project

Abstract

Sr(TbSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Sr–Se bond distances ranging from 3.20–3.54 Å. There are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing TbSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–63°. There are a spread of Tb–Se bond distances ranging from 2.85–2.92 Å. In the second Tb3+ site, Tb3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing TbSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–63°. There are a spread of Tb–Se bond distances ranging from 2.83–2.93 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Sr2+ and three Tb3+ atoms to form a mixture of distorted corner and edge-sharing SeSr2Tb3 trigonal bipyramids. In the second Se2- site, Se2- is bonded to two equivalent Sr2+ and three equivalent Tb3+ atoms to form a mixture of distorted corner and edge-sharing SeSr2Tb3 square pyramids. In the third Se2- site, Se2- is bonded in a 5-coordinate geometrymore » to two equivalent Sr2+ and three Tb3+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three equivalent Tb3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1193917
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; Sr(TbSe2)2; Se-Sr-Tb
OSTI Identifier:
1684313
DOI:
https://doi.org/10.17188/1684313

Citation Formats

The Materials Project. Materials Data on Sr(TbSe2)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684313.
The Materials Project. Materials Data on Sr(TbSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1684313
The Materials Project. 2019. "Materials Data on Sr(TbSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1684313. https://www.osti.gov/servlets/purl/1684313. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1684313,
title = {Materials Data on Sr(TbSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr(TbSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Sr–Se bond distances ranging from 3.20–3.54 Å. There are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing TbSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–63°. There are a spread of Tb–Se bond distances ranging from 2.85–2.92 Å. In the second Tb3+ site, Tb3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing TbSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–63°. There are a spread of Tb–Se bond distances ranging from 2.83–2.93 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Sr2+ and three Tb3+ atoms to form a mixture of distorted corner and edge-sharing SeSr2Tb3 trigonal bipyramids. In the second Se2- site, Se2- is bonded to two equivalent Sr2+ and three equivalent Tb3+ atoms to form a mixture of distorted corner and edge-sharing SeSr2Tb3 square pyramids. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Tb3+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three equivalent Tb3+ atoms.},
doi = {10.17188/1684313},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}