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Title: Materials Data on Ge5P6O25 by Materials Project

Abstract

Ge5O(PO4)6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with three equivalent PO4 tetrahedra. There is one shorter (1.71 Å) and three longer (1.76 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.87 Å) and three longer (1.92 Å) Ge–O bond length. In the third Ge4+ site, Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Ge–O bond lengths are 1.89 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three GeO6 octahedra and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 29–51°. There are a spread of P–O bond distances ranging from 1.52–1.59 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to onemore » Ge4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ge4+ and one P5+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ge4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ge4+ and one P5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-18049
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; Ge5P6O25; Ge-O-P
OSTI Identifier:
1192865
DOI:
https://doi.org/10.17188/1192865

Citation Formats

The Materials Project. Materials Data on Ge5P6O25 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192865.
The Materials Project. Materials Data on Ge5P6O25 by Materials Project. United States. doi:https://doi.org/10.17188/1192865
The Materials Project. 2020. "Materials Data on Ge5P6O25 by Materials Project". United States. doi:https://doi.org/10.17188/1192865. https://www.osti.gov/servlets/purl/1192865. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1192865,
title = {Materials Data on Ge5P6O25 by Materials Project},
author = {The Materials Project},
abstractNote = {Ge5O(PO4)6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with three equivalent PO4 tetrahedra. There is one shorter (1.71 Å) and three longer (1.76 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.87 Å) and three longer (1.92 Å) Ge–O bond length. In the third Ge4+ site, Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Ge–O bond lengths are 1.89 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three GeO6 octahedra and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 29–51°. There are a spread of P–O bond distances ranging from 1.52–1.59 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ge4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ge4+ and one P5+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ge4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ge4+ and one P5+ atom.},
doi = {10.17188/1192865},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}