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Title: Materials Data on PrNiSnH2 by Materials Project

Abstract

PrNiSnH2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a distorted hexagonal planar geometry to six H atoms. There are a spread of Pr–H bond distances ranging from 2.60–2.62 Å. Ni is bonded in a linear geometry to three equivalent Sn and two H atoms. All Ni–Sn bond lengths are 2.55 Å. Both Ni–H bond lengths are 1.60 Å. Sn is bonded in a distorted trigonal planar geometry to three equivalent Ni atoms. There are two inequivalent H sites. In the first H site, H is bonded to three equivalent Pr and one Ni atom to form a mixture of distorted edge and corner-sharing HPr3Ni tetrahedra. In the second H site, H is bonded to three equivalent Pr and one Ni atom to form a mixture of distorted edge and corner-sharing HPr3Ni tetrahedra.

Publication Date:
Other Number(s):
mp-510581
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; PrNiSnH2; H-Ni-Pr-Sn
OSTI Identifier:
1263014
DOI:
https://doi.org/10.17188/1263014

Citation Formats

The Materials Project. Materials Data on PrNiSnH2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263014.
The Materials Project. Materials Data on PrNiSnH2 by Materials Project. United States. doi:https://doi.org/10.17188/1263014
The Materials Project. 2020. "Materials Data on PrNiSnH2 by Materials Project". United States. doi:https://doi.org/10.17188/1263014. https://www.osti.gov/servlets/purl/1263014. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1263014,
title = {Materials Data on PrNiSnH2 by Materials Project},
author = {The Materials Project},
abstractNote = {PrNiSnH2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a distorted hexagonal planar geometry to six H atoms. There are a spread of Pr–H bond distances ranging from 2.60–2.62 Å. Ni is bonded in a linear geometry to three equivalent Sn and two H atoms. All Ni–Sn bond lengths are 2.55 Å. Both Ni–H bond lengths are 1.60 Å. Sn is bonded in a distorted trigonal planar geometry to three equivalent Ni atoms. There are two inequivalent H sites. In the first H site, H is bonded to three equivalent Pr and one Ni atom to form a mixture of distorted edge and corner-sharing HPr3Ni tetrahedra. In the second H site, H is bonded to three equivalent Pr and one Ni atom to form a mixture of distorted edge and corner-sharing HPr3Ni tetrahedra.},
doi = {10.17188/1263014},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}