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Title: Materials Data on Tm2Sb2O7 by Materials Project

Abstract

Tm2Sb2O7 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six O2- atoms to form distorted TmO6 octahedra that share corners with six SbO6 octahedra and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 57–67°. There are a spread of Tm–O bond distances ranging from 2.25–2.33 Å. In the second Tm3+ site, Tm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tm–O bond distances ranging from 2.29–2.44 Å. There are two inequivalent Sb4+ sites. In the first Sb4+ site, Sb4+ is bonded to six O2- atoms to form distorted SbO6 octahedra that share corners with two equivalent TmO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent TmO6 octahedra. The corner-sharing octahedra tilt angles range from 57–67°. There are a spread of Sb–O bond distances ranging from 2.18–2.61 Å. In the second Sb4+ site, Sb4+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent TmO6 octahedra and corners with six SbO6 octahedra. The corner-sharing octahedra tilt angles range from 1–66°. Theremore » are a spread of Sb–O bond distances ranging from 1.92–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Tm3+ and two Sb4+ atoms. In the second O2- site, O2- is bonded to three Tm3+ and one Sb4+ atom to form a mixture of edge and corner-sharing OTm3Sb tetrahedra. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Tm3+ and two Sb4+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Sb4+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-753830
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; Tm2Sb2O7; O-Sb-Tm
OSTI Identifier:
1289156
DOI:
https://doi.org/10.17188/1289156

Citation Formats

The Materials Project. Materials Data on Tm2Sb2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289156.
The Materials Project. Materials Data on Tm2Sb2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1289156
The Materials Project. 2020. "Materials Data on Tm2Sb2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1289156. https://www.osti.gov/servlets/purl/1289156. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1289156,
title = {Materials Data on Tm2Sb2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm2Sb2O7 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six O2- atoms to form distorted TmO6 octahedra that share corners with six SbO6 octahedra and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 57–67°. There are a spread of Tm–O bond distances ranging from 2.25–2.33 Å. In the second Tm3+ site, Tm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tm–O bond distances ranging from 2.29–2.44 Å. There are two inequivalent Sb4+ sites. In the first Sb4+ site, Sb4+ is bonded to six O2- atoms to form distorted SbO6 octahedra that share corners with two equivalent TmO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent TmO6 octahedra. The corner-sharing octahedra tilt angles range from 57–67°. There are a spread of Sb–O bond distances ranging from 2.18–2.61 Å. In the second Sb4+ site, Sb4+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent TmO6 octahedra and corners with six SbO6 octahedra. The corner-sharing octahedra tilt angles range from 1–66°. There are a spread of Sb–O bond distances ranging from 1.92–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Tm3+ and two Sb4+ atoms. In the second O2- site, O2- is bonded to three Tm3+ and one Sb4+ atom to form a mixture of edge and corner-sharing OTm3Sb tetrahedra. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Tm3+ and two Sb4+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Sb4+ atoms.},
doi = {10.17188/1289156},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}