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Title: Materials Data on Pr3Sb5O12 by Materials Project

Abstract

Pr3Sb5O12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.37 Å) and four longer (2.73 Å) Pr–O bond lengths. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.04 Å. In the second Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.25 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Pr3+ and two Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pr3+ and one Sb3+ atom.

Publication Date:
Other Number(s):
mp-2973
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; Pr3Sb5O12; O-Pr-Sb
OSTI Identifier:
1204200
DOI:
https://doi.org/10.17188/1204200

Citation Formats

The Materials Project. Materials Data on Pr3Sb5O12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204200.
The Materials Project. Materials Data on Pr3Sb5O12 by Materials Project. United States. doi:https://doi.org/10.17188/1204200
The Materials Project. 2020. "Materials Data on Pr3Sb5O12 by Materials Project". United States. doi:https://doi.org/10.17188/1204200. https://www.osti.gov/servlets/purl/1204200. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1204200,
title = {Materials Data on Pr3Sb5O12 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3Sb5O12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.37 Å) and four longer (2.73 Å) Pr–O bond lengths. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.04 Å. In the second Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.25 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Pr3+ and two Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pr3+ and one Sb3+ atom.},
doi = {10.17188/1204200},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}