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Title: Materials Data on Ge7HN3O20 by Materials Project

Abstract

(Ge7HO20)2(N2)3 crystallizes in the cubic P-43m space group. The structure is three-dimensional and consists of three ammonia molecules and one Ge7HO20 framework. In the Ge7HO20 framework, there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent OO4 trigonal pyramids. All Ge–O bond lengths are 1.76 Å. In the second Ge4+ site, Ge4+ is bonded in a 6-coordinate geometry to six O2- atoms. There is three shorter (1.81 Å) and three longer (2.08 Å) Ge–O bond length. H1+ is bonded to four equivalent O2- atoms to form HO4 tetrahedra that share corners with four equivalent OO4 trigonal pyramids. All H–O bond lengths are 1.53 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four O2- atoms to form OO4 trigonal pyramids that share a cornercorner with one HO4 tetrahedra and corners with three equivalent GeO4 tetrahedra. There are one shorter (2.61 Å) and three longer (3.07 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ and one O2- atom. In the third O2-more » site, O2- is bonded in a distorted single-bond geometry to three equivalent Ge4+, one H1+, and one O2- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1224666
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; Ge7HN3O20; Ge-H-N-O
OSTI Identifier:
1711466
DOI:
https://doi.org/10.17188/1711466

Citation Formats

The Materials Project. Materials Data on Ge7HN3O20 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1711466.
The Materials Project. Materials Data on Ge7HN3O20 by Materials Project. United States. doi:https://doi.org/10.17188/1711466
The Materials Project. 2020. "Materials Data on Ge7HN3O20 by Materials Project". United States. doi:https://doi.org/10.17188/1711466. https://www.osti.gov/servlets/purl/1711466. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1711466,
title = {Materials Data on Ge7HN3O20 by Materials Project},
author = {The Materials Project},
abstractNote = {(Ge7HO20)2(N2)3 crystallizes in the cubic P-43m space group. The structure is three-dimensional and consists of three ammonia molecules and one Ge7HO20 framework. In the Ge7HO20 framework, there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent OO4 trigonal pyramids. All Ge–O bond lengths are 1.76 Å. In the second Ge4+ site, Ge4+ is bonded in a 6-coordinate geometry to six O2- atoms. There is three shorter (1.81 Å) and three longer (2.08 Å) Ge–O bond length. H1+ is bonded to four equivalent O2- atoms to form HO4 tetrahedra that share corners with four equivalent OO4 trigonal pyramids. All H–O bond lengths are 1.53 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four O2- atoms to form OO4 trigonal pyramids that share a cornercorner with one HO4 tetrahedra and corners with three equivalent GeO4 tetrahedra. There are one shorter (2.61 Å) and three longer (3.07 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ and one O2- atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ge4+, one H1+, and one O2- atom.},
doi = {10.17188/1711466},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}