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Title: Materials Data on Ba2HCl2 by Materials Project

Abstract

Ba2HCl2 is alpha Niobium phosphide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Ba2HCl2 cluster. Ba is bonded in a linear geometry to one H and one Cl atom. The Ba–H bond length is 2.53 Å. The Ba–Cl bond length is 2.71 Å. H is bonded in a linear geometry to two equivalent Ba atoms. Cl is bonded in a single-bond geometry to one Ba atom.

Publication Date:
Other Number(s):
mp-1214876
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; Ba2HCl2; Ba-Cl-H
OSTI Identifier:
1746937
DOI:
https://doi.org/10.17188/1746937

Citation Formats

The Materials Project. Materials Data on Ba2HCl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746937.
The Materials Project. Materials Data on Ba2HCl2 by Materials Project. United States. doi:https://doi.org/10.17188/1746937
The Materials Project. 2020. "Materials Data on Ba2HCl2 by Materials Project". United States. doi:https://doi.org/10.17188/1746937. https://www.osti.gov/servlets/purl/1746937. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1746937,
title = {Materials Data on Ba2HCl2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2HCl2 is alpha Niobium phosphide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Ba2HCl2 cluster. Ba is bonded in a linear geometry to one H and one Cl atom. The Ba–H bond length is 2.53 Å. The Ba–Cl bond length is 2.71 Å. H is bonded in a linear geometry to two equivalent Ba atoms. Cl is bonded in a single-bond geometry to one Ba atom.},
doi = {10.17188/1746937},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}