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Title: Materials Data on Pr2SiTeO4 by Materials Project

Abstract

Pr2SiTeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four O2- atoms. There are a spread of Pr–Te bond distances ranging from 3.23–3.45 Å. There are a spread of Pr–O bond distances ranging from 2.53–2.56 Å. In the second Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to one Te2- and seven O2- atoms. The Pr–Te bond length is 3.35 Å. There are a spread of Pr–O bond distances ranging from 2.40–2.73 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. Te2- is bonded in a 5-coordinate geometry to five Pr3+ and five O2- atoms. There are a spread of Te–O bond distances ranging from 3.53–3.75 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pr3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+, one Si4+, and one Te2- atom. In the thirdmore » O2- site, O2- is bonded in a 1-coordinate geometry to two Pr3+, one Si4+, and one Te2- atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Pr3+, one Si4+, and three equivalent Te2- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-541996
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; Pr2SiTeO4; O-Pr-Si-Te
OSTI Identifier:
1266348
DOI:
https://doi.org/10.17188/1266348

Citation Formats

The Materials Project. Materials Data on Pr2SiTeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266348.
The Materials Project. Materials Data on Pr2SiTeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1266348
The Materials Project. 2020. "Materials Data on Pr2SiTeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1266348. https://www.osti.gov/servlets/purl/1266348. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1266348,
title = {Materials Data on Pr2SiTeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2SiTeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four O2- atoms. There are a spread of Pr–Te bond distances ranging from 3.23–3.45 Å. There are a spread of Pr–O bond distances ranging from 2.53–2.56 Å. In the second Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to one Te2- and seven O2- atoms. The Pr–Te bond length is 3.35 Å. There are a spread of Pr–O bond distances ranging from 2.40–2.73 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. Te2- is bonded in a 5-coordinate geometry to five Pr3+ and five O2- atoms. There are a spread of Te–O bond distances ranging from 3.53–3.75 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pr3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+, one Si4+, and one Te2- atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Pr3+, one Si4+, and one Te2- atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Pr3+, one Si4+, and three equivalent Te2- atoms.},
doi = {10.17188/1266348},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}