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Title: Materials Data on Na2Cu2TeO6 by Materials Project

Abstract

Na2Cu2TeO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent TeO6 octahedra, edges with two equivalent TeO6 octahedra, and edges with three equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are a spread of Na–O bond distances ranging from 2.32–2.53 Å. Cu2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.99–2.65 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with four equivalent NaO6 octahedra and edges with four equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There is four shorter (1.95 Å) and two longer (2.03 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+, two equivalent Cu2+, and one Te6+ atom to form a mixture of distorted edge and corner-sharing ONa2Cu2Te trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Na1+, two equivalent Cu2+, and one Te6+ atom to form a mixture of distorted edge and corner-sharing ONa2Cu2Temore » square pyramids.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-551283
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; Na2Cu2TeO6; Cu-Na-O-Te
OSTI Identifier:
1267491
DOI:
10.17188/1267491

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na2Cu2TeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267491.
Persson, Kristin, & Project, Materials. Materials Data on Na2Cu2TeO6 by Materials Project. United States. doi:10.17188/1267491.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na2Cu2TeO6 by Materials Project". United States. doi:10.17188/1267491. https://www.osti.gov/servlets/purl/1267491. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267491,
title = {Materials Data on Na2Cu2TeO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na2Cu2TeO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent TeO6 octahedra, edges with two equivalent TeO6 octahedra, and edges with three equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are a spread of Na–O bond distances ranging from 2.32–2.53 Å. Cu2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.99–2.65 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with four equivalent NaO6 octahedra and edges with four equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There is four shorter (1.95 Å) and two longer (2.03 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+, two equivalent Cu2+, and one Te6+ atom to form a mixture of distorted edge and corner-sharing ONa2Cu2Te trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Na1+, two equivalent Cu2+, and one Te6+ atom to form a mixture of distorted edge and corner-sharing ONa2Cu2Te square pyramids.},
doi = {10.17188/1267491},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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