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Title: Materials Data on Sm2TeO6 by Materials Project

Abstract

Sm2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to six O2- atoms to form distorted SmO6 octahedra that share corners with four equivalent TeO6 octahedra, corners with six equivalent SmO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are a spread of Sm–O bond distances ranging from 2.31–2.45 Å. In the second Sm3+ site, Sm3+ is bonded to six O2- atoms to form distorted SmO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with six equivalent SmO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. There are a spread of Sm–O bond distances ranging from 2.28–2.42 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent SmO6 octahedra and edges with three equivalent SmO6 octahedra. The corner-sharing octahedra tilt angles range from 45–52°. There is three shorter (1.95 Å) and three longer (1.96 Å) Te–O bond length. In the secondmore » Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent SmO6 octahedra and edges with three equivalent SmO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Te–O bond lengths are 1.94 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Sm3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Sm3+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Sm3+ and one Te6+ atom.« less

Publication Date:
Other Number(s):
mp-778052
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; Sm2TeO6; O-Sm-Te
OSTI Identifier:
1305420
DOI:
10.17188/1305420

Citation Formats

The Materials Project. Materials Data on Sm2TeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305420.
The Materials Project. Materials Data on Sm2TeO6 by Materials Project. United States. doi:10.17188/1305420.
The Materials Project. 2020. "Materials Data on Sm2TeO6 by Materials Project". United States. doi:10.17188/1305420. https://www.osti.gov/servlets/purl/1305420. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1305420,
title = {Materials Data on Sm2TeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to six O2- atoms to form distorted SmO6 octahedra that share corners with four equivalent TeO6 octahedra, corners with six equivalent SmO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are a spread of Sm–O bond distances ranging from 2.31–2.45 Å. In the second Sm3+ site, Sm3+ is bonded to six O2- atoms to form distorted SmO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with six equivalent SmO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. There are a spread of Sm–O bond distances ranging from 2.28–2.42 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent SmO6 octahedra and edges with three equivalent SmO6 octahedra. The corner-sharing octahedra tilt angles range from 45–52°. There is three shorter (1.95 Å) and three longer (1.96 Å) Te–O bond length. In the second Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent SmO6 octahedra and edges with three equivalent SmO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Te–O bond lengths are 1.94 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Sm3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Sm3+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Sm3+ and one Te6+ atom.},
doi = {10.17188/1305420},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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