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Title: Materials Data on Nd2Te4O11 by Materials Project

Abstract

Nd2Te4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.38–2.68 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.41 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.69 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nd3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry tomore » one Nd3+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two Te4+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-5121
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; Nd2Te4O11; Nd-O-Te
OSTI Identifier:
1263087
DOI:
10.17188/1263087

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Nd2Te4O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263087.
Persson, Kristin, & Project, Materials. Materials Data on Nd2Te4O11 by Materials Project. United States. doi:10.17188/1263087.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Nd2Te4O11 by Materials Project". United States. doi:10.17188/1263087. https://www.osti.gov/servlets/purl/1263087. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1263087,
title = {Materials Data on Nd2Te4O11 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Nd2Te4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.38–2.68 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.41 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.69 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nd3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Nd3+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two Te4+ atoms.},
doi = {10.17188/1263087},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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