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Title: Materials Data on Eu(TmSe2)2 by Materials Project

Abstract

EuTm2Se4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing TmSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–63°. There are a spread of Tm–Se bond distances ranging from 2.78–2.86 Å. In the second Tm3+ site, Tm3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing TmSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–63°. There are a spread of Tm–Se bond distances ranging from 2.80–2.86 Å. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.16–3.41 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Tm3+ and two equivalent Eu2+ atoms. In the second Se2- site, Se2- is bonded to three equivalent Tm3+ and two equivalent Eu2+ atoms to form distorted edge-sharing SeEu2Tm3 square pyramids. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three Tm3+ and two equivalent Eu2+ atoms. In the fourth Se2- site,more » Se2- is bonded in a 5-coordinate geometry to three equivalent Tm3+ and two equivalent Eu2+ atoms.« less

Publication Date:
Other Number(s):
mp-542964
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; Eu(TmSe2)2; Eu-Se-Tm
OSTI Identifier:
1266806
DOI:
https://doi.org/10.17188/1266806

Citation Formats

The Materials Project. Materials Data on Eu(TmSe2)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1266806.
The Materials Project. Materials Data on Eu(TmSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1266806
The Materials Project. 2017. "Materials Data on Eu(TmSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1266806. https://www.osti.gov/servlets/purl/1266806. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1266806,
title = {Materials Data on Eu(TmSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {EuTm2Se4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing TmSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–63°. There are a spread of Tm–Se bond distances ranging from 2.78–2.86 Å. In the second Tm3+ site, Tm3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing TmSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–63°. There are a spread of Tm–Se bond distances ranging from 2.80–2.86 Å. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.16–3.41 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Tm3+ and two equivalent Eu2+ atoms. In the second Se2- site, Se2- is bonded to three equivalent Tm3+ and two equivalent Eu2+ atoms to form distorted edge-sharing SeEu2Tm3 square pyramids. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three Tm3+ and two equivalent Eu2+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Tm3+ and two equivalent Eu2+ atoms.},
doi = {10.17188/1266806},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}