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Title: Materials Data on Pr2SiTeO4 by Materials Project

Abstract

Pr2SiTeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to four equivalent Te2- and six O2- atoms. There are two shorter (3.39 Å) and two longer (3.71 Å) Pr–Te bond lengths. There are two shorter (2.55 Å) and four longer (2.56 Å) Pr–O bond lengths. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to three equivalent Te2- and six O2- atoms. There are a spread of Pr–Te bond distances ranging from 3.21–3.41 Å. There are a spread of Pr–O bond distances ranging from 2.50–2.64 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.65 Å) and two longer (1.67 Å) Si–O bond length. Te2- is bonded in a 1-coordinate geometry to seven Pr3+ and ten O2- atoms. There are a spread of Te–O bond distances ranging from 3.36–3.74 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Pr3+, one Si4+, and three equivalent Te2- atoms. In the second O2- site, O2- is bonded in amore » 1-coordinate geometry to three Pr3+, one Si4+, and two equivalent Te2- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-17750
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:
1192671
DOI:
https://doi.org/10.17188/1192671

Citation Formats

The Materials Project. Materials Data on Pr2SiTeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192671.
The Materials Project. Materials Data on Pr2SiTeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1192671
The Materials Project. 2020. "Materials Data on Pr2SiTeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1192671. https://www.osti.gov/servlets/purl/1192671. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1192671,
title = {Materials Data on Pr2SiTeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2SiTeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to four equivalent Te2- and six O2- atoms. There are two shorter (3.39 Å) and two longer (3.71 Å) Pr–Te bond lengths. There are two shorter (2.55 Å) and four longer (2.56 Å) Pr–O bond lengths. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to three equivalent Te2- and six O2- atoms. There are a spread of Pr–Te bond distances ranging from 3.21–3.41 Å. There are a spread of Pr–O bond distances ranging from 2.50–2.64 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.65 Å) and two longer (1.67 Å) Si–O bond length. Te2- is bonded in a 1-coordinate geometry to seven Pr3+ and ten O2- atoms. There are a spread of Te–O bond distances ranging from 3.36–3.74 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Pr3+, one Si4+, and three equivalent Te2- atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+, one Si4+, and two equivalent Te2- atoms.},
doi = {10.17188/1192671},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}