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Title: Materials Data on H9C2N5(ClO4)2 by Materials Project

Abstract

C2N5H9(ClO4)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ac1nqwip molecules and four ClO4 clusters. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.48 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.48 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1197214
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; H9C2N5(ClO4)2; C-Cl-H-N-O
OSTI Identifier:
1746256
DOI:
https://doi.org/10.17188/1746256

Citation Formats

The Materials Project. Materials Data on H9C2N5(ClO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746256.
The Materials Project. Materials Data on H9C2N5(ClO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1746256
The Materials Project. 2020. "Materials Data on H9C2N5(ClO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1746256. https://www.osti.gov/servlets/purl/1746256. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1746256,
title = {Materials Data on H9C2N5(ClO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {C2N5H9(ClO4)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ac1nqwip molecules and four ClO4 clusters. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.48 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.48 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.},
doi = {10.17188/1746256},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}