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Title: Materials Data on Rb5GeP3 by Materials Project

Abstract

Rb5GeP3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent P3- atoms. There are one shorter (3.63 Å) and two longer (3.64 Å) Rb–P bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.43–3.81 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.60–3.67 Å. In the fourth Rb1+ site, Rb1+ is bonded to four P3- atoms to form distorted corner-sharing RbP4 tetrahedra. There are a spread of Rb–P bond distances ranging from 3.48–3.53 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.50–3.62 Å. Ge4+ is bonded in a trigonal planar geometry to three P3- atoms. There are a spread of Ge–P bond distances ranging from 2.29–2.31 Å. There are three inequivalent P3- sites. In the first P3- site,more » P3- is bonded in a 1-coordinate geometry to eight Rb1+ and one Ge4+ atom. In the second P3- site, P3- is bonded in a 7-coordinate geometry to six Rb1+ and one Ge4+ atom. In the third P3- site, P3- is bonded in a 9-coordinate geometry to eight Rb1+ and one Ge4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-17978
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; Rb5GeP3; Ge-P-Rb
OSTI Identifier:
1192811
DOI:
https://doi.org/10.17188/1192811

Citation Formats

The Materials Project. Materials Data on Rb5GeP3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192811.
The Materials Project. Materials Data on Rb5GeP3 by Materials Project. United States. doi:https://doi.org/10.17188/1192811
The Materials Project. 2020. "Materials Data on Rb5GeP3 by Materials Project". United States. doi:https://doi.org/10.17188/1192811. https://www.osti.gov/servlets/purl/1192811. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1192811,
title = {Materials Data on Rb5GeP3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb5GeP3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent P3- atoms. There are one shorter (3.63 Å) and two longer (3.64 Å) Rb–P bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.43–3.81 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.60–3.67 Å. In the fourth Rb1+ site, Rb1+ is bonded to four P3- atoms to form distorted corner-sharing RbP4 tetrahedra. There are a spread of Rb–P bond distances ranging from 3.48–3.53 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.50–3.62 Å. Ge4+ is bonded in a trigonal planar geometry to three P3- atoms. There are a spread of Ge–P bond distances ranging from 2.29–2.31 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 1-coordinate geometry to eight Rb1+ and one Ge4+ atom. In the second P3- site, P3- is bonded in a 7-coordinate geometry to six Rb1+ and one Ge4+ atom. In the third P3- site, P3- is bonded in a 9-coordinate geometry to eight Rb1+ and one Ge4+ atom.},
doi = {10.17188/1192811},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}