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Title: Materials Data on SrLiPrTeO6 by Materials Project

Abstract

LiSrPrTeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 20–29°. There are a spread of Li–O bond distances ranging from 2.10–2.19 Å. Sr2+ is bonded in a 12-coordinate geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–3.12 Å. Pr3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pr–O bond distances ranging from 2.42–2.89 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 20–29°. There are a spread of Te–O bond distances ranging from 1.93–1.96 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sr2+, two equivalent Pr3+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Sr2+, one Pr3+, and one Te6+ atom. In the third O2- site,more » O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Sr2+, one Pr3+, and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, two equivalent Sr2+, one Pr3+, and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Sr2+, one Pr3+, and one Te6+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Sr2+, one Pr3+, and one Te6+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-39144
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; SrLiPrTeO6; Li-O-Pr-Sr-Te
OSTI Identifier:
1207616
DOI:
10.17188/1207616

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SrLiPrTeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207616.
Persson, Kristin, & Project, Materials. Materials Data on SrLiPrTeO6 by Materials Project. United States. doi:10.17188/1207616.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SrLiPrTeO6 by Materials Project". United States. doi:10.17188/1207616. https://www.osti.gov/servlets/purl/1207616. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1207616,
title = {Materials Data on SrLiPrTeO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LiSrPrTeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 20–29°. There are a spread of Li–O bond distances ranging from 2.10–2.19 Å. Sr2+ is bonded in a 12-coordinate geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–3.12 Å. Pr3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pr–O bond distances ranging from 2.42–2.89 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 20–29°. There are a spread of Te–O bond distances ranging from 1.93–1.96 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sr2+, two equivalent Pr3+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Sr2+, one Pr3+, and one Te6+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Sr2+, one Pr3+, and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, two equivalent Sr2+, one Pr3+, and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Sr2+, one Pr3+, and one Te6+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Sr2+, one Pr3+, and one Te6+ atom.},
doi = {10.17188/1207616},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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