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Title: Materials Data on Ge19(PI)4 by Materials Project

Abstract

Ge19P4(I)4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of eight hydriodic acid molecules and one Ge19P4 framework. In the Ge19P4 framework, there are three inequivalent Ge sites. In the first Ge site, Ge is bonded to three Ge and one P atom to form distorted GeGe3P tetrahedra that share corners with two equivalent PGe4 tetrahedra and corners with ten GeGe3P tetrahedra. There are a spread of Ge–Ge bond distances ranging from 2.49–2.54 Å. The Ge–P bond length is 2.45 Å. In the second Ge site, Ge is bonded to three equivalent Ge and one P atom to form distorted GeGe3P tetrahedra that share corners with three equivalent PGe4 tetrahedra and corners with nine GeGe3P tetrahedra. The Ge–P bond length is 2.41 Å. In the third Ge site, Ge is bonded to four equivalent Ge atoms to form GeGe4 tetrahedra that share corners with four equivalent PGe4 tetrahedra and corners with eight GeGe3P tetrahedra. P is bonded to four Ge atoms to form PGe4 tetrahedra that share corners with twelve GeGe3P tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-23420
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; Ge19(PI)4; Ge-I-P
OSTI Identifier:
1199500
DOI:
https://doi.org/10.17188/1199500

Citation Formats

The Materials Project. Materials Data on Ge19(PI)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199500.
The Materials Project. Materials Data on Ge19(PI)4 by Materials Project. United States. doi:https://doi.org/10.17188/1199500
The Materials Project. 2020. "Materials Data on Ge19(PI)4 by Materials Project". United States. doi:https://doi.org/10.17188/1199500. https://www.osti.gov/servlets/purl/1199500. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1199500,
title = {Materials Data on Ge19(PI)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ge19P4(I)4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of eight hydriodic acid molecules and one Ge19P4 framework. In the Ge19P4 framework, there are three inequivalent Ge sites. In the first Ge site, Ge is bonded to three Ge and one P atom to form distorted GeGe3P tetrahedra that share corners with two equivalent PGe4 tetrahedra and corners with ten GeGe3P tetrahedra. There are a spread of Ge–Ge bond distances ranging from 2.49–2.54 Å. The Ge–P bond length is 2.45 Å. In the second Ge site, Ge is bonded to three equivalent Ge and one P atom to form distorted GeGe3P tetrahedra that share corners with three equivalent PGe4 tetrahedra and corners with nine GeGe3P tetrahedra. The Ge–P bond length is 2.41 Å. In the third Ge site, Ge is bonded to four equivalent Ge atoms to form GeGe4 tetrahedra that share corners with four equivalent PGe4 tetrahedra and corners with eight GeGe3P tetrahedra. P is bonded to four Ge atoms to form PGe4 tetrahedra that share corners with twelve GeGe3P tetrahedra.},
doi = {10.17188/1199500},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}