DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on PaH3 by Materials Project

Abstract

PaH3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Pa3+ sites. In the first Pa3+ site, Pa3+ is bonded to twelve equivalent H1- atoms to form face-sharing PaH12 cuboctahedra. All Pa–H bond lengths are 2.27 Å. In the second Pa3+ site, Pa3+ is bonded to twelve equivalent H1- atoms to form a mixture of edge and face-sharing PaH12 cuboctahedra. There are four shorter (2.32 Å) and eight longer (2.34 Å) Pa–H bond lengths. H1- is bonded to four Pa3+ atoms to form a mixture of corner, edge, and face-sharing HPa4 tetrahedra.

Publication Date:
Other Number(s):
mp-505570
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; PaH3; H-Pa
OSTI Identifier:
1262593
DOI:
https://doi.org/10.17188/1262593

Citation Formats

The Materials Project. Materials Data on PaH3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262593.
The Materials Project. Materials Data on PaH3 by Materials Project. United States. doi:https://doi.org/10.17188/1262593
The Materials Project. 2020. "Materials Data on PaH3 by Materials Project". United States. doi:https://doi.org/10.17188/1262593. https://www.osti.gov/servlets/purl/1262593. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1262593,
title = {Materials Data on PaH3 by Materials Project},
author = {The Materials Project},
abstractNote = {PaH3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Pa3+ sites. In the first Pa3+ site, Pa3+ is bonded to twelve equivalent H1- atoms to form face-sharing PaH12 cuboctahedra. All Pa–H bond lengths are 2.27 Å. In the second Pa3+ site, Pa3+ is bonded to twelve equivalent H1- atoms to form a mixture of edge and face-sharing PaH12 cuboctahedra. There are four shorter (2.32 Å) and eight longer (2.34 Å) Pa–H bond lengths. H1- is bonded to four Pa3+ atoms to form a mixture of corner, edge, and face-sharing HPa4 tetrahedra.},
doi = {10.17188/1262593},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}