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Title: Materials Data on Pr5Ge3O13 by Materials Project

Abstract

Pr5Ge3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.46–2.87 Å. In the second Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pr–O bond distances ranging from 2.34–2.80 Å. Ge+3.67+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.77 Å) and three longer (1.79 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Pr3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Pr3+ and one Ge+3.67+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Ge+3.67+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Ge+3.67+ atom.

Publication Date:
Other Number(s):
mp-1209712
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; Pr5Ge3O13; Ge-O-Pr
OSTI Identifier:
1685366
DOI:
https://doi.org/10.17188/1685366

Citation Formats

The Materials Project. Materials Data on Pr5Ge3O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685366.
The Materials Project. Materials Data on Pr5Ge3O13 by Materials Project. United States. doi:https://doi.org/10.17188/1685366
The Materials Project. 2020. "Materials Data on Pr5Ge3O13 by Materials Project". United States. doi:https://doi.org/10.17188/1685366. https://www.osti.gov/servlets/purl/1685366. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1685366,
title = {Materials Data on Pr5Ge3O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr5Ge3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.46–2.87 Å. In the second Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pr–O bond distances ranging from 2.34–2.80 Å. Ge+3.67+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.77 Å) and three longer (1.79 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Pr3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Pr3+ and one Ge+3.67+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Ge+3.67+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Ge+3.67+ atom.},
doi = {10.17188/1685366},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}