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Title: Materials Data on Na2U(TeO5)2 by Materials Project

Abstract

Na2U(TeO5)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.74 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.79 Å. U6+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.84–2.32 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are a spread of Te–O bond distances ranging from 1.83–2.03 Å. In the second Te6+ site, Te6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are a spread of Te–O bond distances ranging from 1.83–2.04 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded inmore » a distorted single-bond geometry to three Na1+ and one U6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two Te6+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te6+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+ and one U6+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Na1+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent U6+ and one Te6+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two Te6+ atoms. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Na1+ and one Te6+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent U6+ and one Te6+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te6+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1103515
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; Na2U(TeO5)2; Na-O-Te-U
OSTI Identifier:
1717769
DOI:
https://doi.org/10.17188/1717769

Citation Formats

The Materials Project. Materials Data on Na2U(TeO5)2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1717769.
The Materials Project. Materials Data on Na2U(TeO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1717769
The Materials Project. 2018. "Materials Data on Na2U(TeO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1717769. https://www.osti.gov/servlets/purl/1717769. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1717769,
title = {Materials Data on Na2U(TeO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2U(TeO5)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.74 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.79 Å. U6+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.84–2.32 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are a spread of Te–O bond distances ranging from 1.83–2.03 Å. In the second Te6+ site, Te6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are a spread of Te–O bond distances ranging from 1.83–2.04 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+ and one U6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two Te6+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te6+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+ and one U6+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Na1+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent U6+ and one Te6+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two Te6+ atoms. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Na1+ and one Te6+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent U6+ and one Te6+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te6+ atoms.},
doi = {10.17188/1717769},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}