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Title: Materials Data on Pr2Te3 by Materials Project

Abstract

Pr2Te3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to eight Te2- atoms to form a mixture of distorted edge, face, and corner-sharing PrTe8 hexagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.23–3.41 Å. In the second Pr3+ site, Pr3+ is bonded to eight Te2- atoms to form a mixture of distorted edge, face, and corner-sharing PrTe8 hexagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.23–3.45 Å. In the third Pr3+ site, Pr3+ is bonded to eight Te2- atoms to form a mixture of distorted edge, face, and corner-sharing PrTe8 hexagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.20–3.47 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to six Pr3+ atoms. In the second Te2- site, Te2- is bonded to five Pr3+ atoms to form a mixture of distorted edge, face, and corner-sharing TePr5 square pyramids. In the third Te2- site, Te2- is bonded to five Pr3+ atoms to form a mixture of distorted edge, face, and corner-sharing TePr5 squaremore » pyramids.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-32581
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; Pr2Te3; Pr-Te
OSTI Identifier:
1206315
DOI:
10.17188/1206315

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Pr2Te3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206315.
Persson, Kristin, & Project, Materials. Materials Data on Pr2Te3 by Materials Project. United States. doi:10.17188/1206315.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Pr2Te3 by Materials Project". United States. doi:10.17188/1206315. https://www.osti.gov/servlets/purl/1206315. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1206315,
title = {Materials Data on Pr2Te3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Pr2Te3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to eight Te2- atoms to form a mixture of distorted edge, face, and corner-sharing PrTe8 hexagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.23–3.41 Å. In the second Pr3+ site, Pr3+ is bonded to eight Te2- atoms to form a mixture of distorted edge, face, and corner-sharing PrTe8 hexagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.23–3.45 Å. In the third Pr3+ site, Pr3+ is bonded to eight Te2- atoms to form a mixture of distorted edge, face, and corner-sharing PrTe8 hexagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.20–3.47 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to six Pr3+ atoms. In the second Te2- site, Te2- is bonded to five Pr3+ atoms to form a mixture of distorted edge, face, and corner-sharing TePr5 square pyramids. In the third Te2- site, Te2- is bonded to five Pr3+ atoms to form a mixture of distorted edge, face, and corner-sharing TePr5 square pyramids.},
doi = {10.17188/1206315},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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