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Title: Materials Data on Na2Te2O7 by Materials Project

Abstract

Na2Te2O7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to eight O2- atoms to form distorted NaO8 hexagonal bipyramids that share corners with two equivalent NaO8 hexagonal bipyramids, corners with two equivalent TeO6 octahedra, edges with four equivalent NaO8 hexagonal bipyramids, and edges with six TeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Na–O bond distances ranging from 2.30–2.83 Å. In the second Na1+ site, Na1+ is bonded to eight O2- atoms to form distorted NaO8 hexagonal bipyramids that share edges with six NaO8 hexagonal bipyramids and edges with six TeO6 octahedra. There are four shorter (2.53 Å) and four longer (2.76 Å) Na–O bond lengths. 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 two equivalent NaO8 hexagonal bipyramids, corners with four equivalent TeO6 octahedra, and edges with six NaO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. There is two shorter (1.85 Å) and four longer (2.04 Å) Te–O bond length. In the second Te6+ site, Te6+more » is bonded to six O2- atoms to form TeO6 octahedra that share corners with six TeO6 octahedra and edges with six NaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 42–44°. There is four shorter (1.94 Å) and two longer (1.97 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+ and two Te6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two equivalent Te6+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one Te6+ atom.« less

Publication Date:
Other Number(s):
mp-20254
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; Na2Te2O7; Na-O-Te
OSTI Identifier:
1195385
DOI:
10.17188/1195385

Citation Formats

The Materials Project. Materials Data on Na2Te2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195385.
The Materials Project. Materials Data on Na2Te2O7 by Materials Project. United States. doi:10.17188/1195385.
The Materials Project. 2020. "Materials Data on Na2Te2O7 by Materials Project". United States. doi:10.17188/1195385. https://www.osti.gov/servlets/purl/1195385. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1195385,
title = {Materials Data on Na2Te2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Te2O7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to eight O2- atoms to form distorted NaO8 hexagonal bipyramids that share corners with two equivalent NaO8 hexagonal bipyramids, corners with two equivalent TeO6 octahedra, edges with four equivalent NaO8 hexagonal bipyramids, and edges with six TeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Na–O bond distances ranging from 2.30–2.83 Å. In the second Na1+ site, Na1+ is bonded to eight O2- atoms to form distorted NaO8 hexagonal bipyramids that share edges with six NaO8 hexagonal bipyramids and edges with six TeO6 octahedra. There are four shorter (2.53 Å) and four longer (2.76 Å) Na–O bond lengths. 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 two equivalent NaO8 hexagonal bipyramids, corners with four equivalent TeO6 octahedra, and edges with six NaO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. There is two shorter (1.85 Å) and four longer (2.04 Å) Te–O bond length. In the second Te6+ site, Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six TeO6 octahedra and edges with six NaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 42–44°. There is four shorter (1.94 Å) and two longer (1.97 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+ and two Te6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two equivalent Te6+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one Te6+ atom.},
doi = {10.17188/1195385},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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