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Title: Materials Data on H3NCl by Materials Project

Abstract

NH3Cl is Copper structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four NH3Cl clusters. N2- is bonded in a trigonal non-coplanar geometry to three equivalent H1+ and one Cl1- atom. All N–H bond lengths are 1.02 Å. The N–Cl bond length is 2.46 Å. H1+ is bonded in a single-bond geometry to one N2- atom. Cl1- is bonded in a linear geometry to one N2- and one Cl1- atom. The Cl–Cl bond length is 2.24 Å.

Publication Date:
Other Number(s):
mp-760361
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; H3NCl; Cl-H-N
OSTI Identifier:
1291611
DOI:
10.17188/1291611

Citation Formats

The Materials Project. Materials Data on H3NCl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291611.
The Materials Project. Materials Data on H3NCl by Materials Project. United States. doi:10.17188/1291611.
The Materials Project. 2020. "Materials Data on H3NCl by Materials Project". United States. doi:10.17188/1291611. https://www.osti.gov/servlets/purl/1291611. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1291611,
title = {Materials Data on H3NCl by Materials Project},
author = {The Materials Project},
abstractNote = {NH3Cl is Copper structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four NH3Cl clusters. N2- is bonded in a trigonal non-coplanar geometry to three equivalent H1+ and one Cl1- atom. All N–H bond lengths are 1.02 Å. The N–Cl bond length is 2.46 Å. H1+ is bonded in a single-bond geometry to one N2- atom. Cl1- is bonded in a linear geometry to one N2- and one Cl1- atom. The Cl–Cl bond length is 2.24 Å.},
doi = {10.17188/1291611},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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