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Title: Materials Data on Sr2TmNbO6 by Materials Project

Abstract

Sr2TmNbO6 crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent TmO6 octahedra, and faces with four equivalent NbO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.78–3.17 Å. Tm3+ is bonded to six O2- atoms to form TmO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 5–8°. All Tm–O bond lengths are 2.18 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent TmO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 5–8°. All Nb–O bond lengths are 2.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Tm3+, and one Nb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Tm3+, and one Nb5+ atom. In the third O2- site,more » O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Tm3+, and one Nb5+ atom.« less

Publication Date:
Other Number(s):
mp-557387
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; Sr2TmNbO6; Nb-O-Sr-Tm
OSTI Identifier:
1269816
DOI:
10.17188/1269816

Citation Formats

The Materials Project. Materials Data on Sr2TmNbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269816.
The Materials Project. Materials Data on Sr2TmNbO6 by Materials Project. United States. doi:10.17188/1269816.
The Materials Project. 2020. "Materials Data on Sr2TmNbO6 by Materials Project". United States. doi:10.17188/1269816. https://www.osti.gov/servlets/purl/1269816. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1269816,
title = {Materials Data on Sr2TmNbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2TmNbO6 crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent TmO6 octahedra, and faces with four equivalent NbO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.78–3.17 Å. Tm3+ is bonded to six O2- atoms to form TmO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 5–8°. All Tm–O bond lengths are 2.18 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent TmO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 5–8°. All Nb–O bond lengths are 2.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Tm3+, and one Nb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Tm3+, and one Nb5+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Tm3+, and one Nb5+ atom.},
doi = {10.17188/1269816},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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