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Title: Materials Data on Tm2Sn2O7 by Materials Project

Abstract

Tm2Sn2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.26 Å) and six longer (2.47 Å) Tm–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Sn–O bond lengths are 2.07 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tm3+ atoms to form OTm4 tetrahedra that share corners with sixteen OTm4 tetrahedra and edges with six equivalent OTm2Sn2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Sn4+ atoms to form a mixture of distorted edge and corner-sharing OTm2Sn2 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3334
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; Tm2Sn2O7; O-Sn-Tm
OSTI Identifier:
1206564
DOI:
10.17188/1206564

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Tm2Sn2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206564.
Persson, Kristin, & Project, Materials. Materials Data on Tm2Sn2O7 by Materials Project. United States. doi:10.17188/1206564.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Tm2Sn2O7 by Materials Project". United States. doi:10.17188/1206564. https://www.osti.gov/servlets/purl/1206564. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1206564,
title = {Materials Data on Tm2Sn2O7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Tm2Sn2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.26 Å) and six longer (2.47 Å) Tm–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Sn–O bond lengths are 2.07 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tm3+ atoms to form OTm4 tetrahedra that share corners with sixteen OTm4 tetrahedra and edges with six equivalent OTm2Sn2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Sn4+ atoms to form a mixture of distorted edge and corner-sharing OTm2Sn2 tetrahedra.},
doi = {10.17188/1206564},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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