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Title: Materials Data on Pr2Sn2O7 by Materials Project

Abstract

Pr2Sn2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pr3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.33 Å) and six longer (2.62 Å) Pr–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Sn–O bond lengths are 2.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pr3+ atoms to form OPr4 tetrahedra that share corners with sixteen OPr4 tetrahedra and edges with six equivalent OPr2Sn2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Pr3+ and two equivalent Sn4+ atoms to form a mixture of distorted corner and edge-sharing OPr2Sn2 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4394
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; Pr2Sn2O7; O-Pr-Sn
OSTI Identifier:
1208122
DOI:
10.17188/1208122

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Pr2Sn2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208122.
Persson, Kristin, & Project, Materials. Materials Data on Pr2Sn2O7 by Materials Project. United States. doi:10.17188/1208122.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Pr2Sn2O7 by Materials Project". United States. doi:10.17188/1208122. https://www.osti.gov/servlets/purl/1208122. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1208122,
title = {Materials Data on Pr2Sn2O7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Pr2Sn2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pr3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.33 Å) and six longer (2.62 Å) Pr–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Sn–O bond lengths are 2.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pr3+ atoms to form OPr4 tetrahedra that share corners with sixteen OPr4 tetrahedra and edges with six equivalent OPr2Sn2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Pr3+ and two equivalent Sn4+ atoms to form a mixture of distorted corner and edge-sharing OPr2Sn2 tetrahedra.},
doi = {10.17188/1208122},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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