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Title: Materials Data on YbCrTeO6 by Materials Project

Abstract

YbCrTeO6 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with six CrO6 octahedra and corners with six TeO6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Yb–O bond distances ranging from 2.36–2.39 Å. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with six CrO6 octahedra and corners with six TeO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of Yb–O bond distances ranging from 2.36–2.39 Å. There are two inequivalent Cr5+ sites. In the first Cr5+ site, Cr5+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six YbO6 octahedra and edges with three equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Cr–O bond distances ranging from 1.88–1.99 Å. In the second Cr5+ site, Cr5+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six YbO6more » octahedra and edges with three equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Cr–O bond distances ranging from 1.88–1.99 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six YbO6 octahedra and edges with three equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Te–O bond distances ranging from 1.93–1.99 Å. In the second Te4+ site, Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six YbO6 octahedra and edges with three equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There is four shorter (1.94 Å) and two longer (1.99 Å) Te–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1187813
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; YbCrTeO6; Cr-O-Te-Yb
OSTI Identifier:
1734322
DOI:
https://doi.org/10.17188/1734322

Citation Formats

The Materials Project. Materials Data on YbCrTeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1734322.
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The Materials Project. Materials Data on YbCrTeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1734322
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The Materials Project. 2020. "Materials Data on YbCrTeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1734322. https://www.osti.gov/servlets/purl/1734322. Pub date:Sat May 02 00:00:00 EDT 2020
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@article{osti_1734322,
title = {Materials Data on YbCrTeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {YbCrTeO6 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with six CrO6 octahedra and corners with six TeO6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Yb–O bond distances ranging from 2.36–2.39 Å. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with six CrO6 octahedra and corners with six TeO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of Yb–O bond distances ranging from 2.36–2.39 Å. There are two inequivalent Cr5+ sites. In the first Cr5+ site, Cr5+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six YbO6 octahedra and edges with three equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Cr–O bond distances ranging from 1.88–1.99 Å. In the second Cr5+ site, Cr5+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six YbO6 octahedra and edges with three equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Cr–O bond distances ranging from 1.88–1.99 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six YbO6 octahedra and edges with three equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Te–O bond distances ranging from 1.93–1.99 Å. In the second Te4+ site, Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six YbO6 octahedra and edges with three equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There is four shorter (1.94 Å) and two longer (1.99 Å) Te–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cr5+, and one Te4+ atom.},
doi = {10.17188/1734322},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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DOI: https://doi.org/10.17188/1734322
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