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Title: Materials Data on K3GeH2NO3 by Materials Project

Abstract

K3GeNH2O3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.65–2.93 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to one N3-, two H1+, and four O2- atoms. The K–N bond length is 3.18 Å. There are one shorter (2.78 Å) and one longer (2.89 Å) K–H bond lengths. There are a spread of K–O bond distances ranging from 2.66–2.82 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to one N3-, one H1+, and five O2- atoms. The K–N bond length is 2.96 Å. The K–H bond length is 2.83 Å. There are a spread of K–O bond distances ranging from 2.79–3.10 Å. Ge4+ is bonded in a tetrahedral geometry to one N3- and three O2- atoms. The Ge–N bond length is 1.95 Å. There are a spread of Ge–O bond distances ranging from 1.77–1.79 Å. N3- is bonded in a 2-coordinate geometry to two K1+, one Ge4+, and two H1+ atoms. There is one shortermore » (1.03 Å) and one longer (1.04 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to two K1+ and one N3- atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Ge4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-697540
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; K3GeH2NO3; Ge-H-K-N-O
OSTI Identifier:
1285162
DOI:
10.17188/1285162

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K3GeH2NO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285162.
Persson, Kristin, & Project, Materials. Materials Data on K3GeH2NO3 by Materials Project. United States. doi:10.17188/1285162.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K3GeH2NO3 by Materials Project". United States. doi:10.17188/1285162. https://www.osti.gov/servlets/purl/1285162. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1285162,
title = {Materials Data on K3GeH2NO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K3GeNH2O3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.65–2.93 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to one N3-, two H1+, and four O2- atoms. The K–N bond length is 3.18 Å. There are one shorter (2.78 Å) and one longer (2.89 Å) K–H bond lengths. There are a spread of K–O bond distances ranging from 2.66–2.82 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to one N3-, one H1+, and five O2- atoms. The K–N bond length is 2.96 Å. The K–H bond length is 2.83 Å. There are a spread of K–O bond distances ranging from 2.79–3.10 Å. Ge4+ is bonded in a tetrahedral geometry to one N3- and three O2- atoms. The Ge–N bond length is 1.95 Å. There are a spread of Ge–O bond distances ranging from 1.77–1.79 Å. N3- is bonded in a 2-coordinate geometry to two K1+, one Ge4+, and two H1+ atoms. There is one shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to two K1+ and one N3- atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Ge4+ atom.},
doi = {10.17188/1285162},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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