Materials Data on PaCl5 by Materials Project
Abstract
PaCl5 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two PaCl5 ribbons oriented in the (0, 0, 1) direction. Pa5+ is bonded to seven Cl1- atoms to form edge-sharing PaCl7 pentagonal bipyramids. There are a spread of Pa–Cl bond distances ranging from 2.49–2.80 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pa5+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Pa5+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Pa5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-27436
- 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; PaCl5; Cl-Pa
- OSTI Identifier:
- 1201649
- DOI:
- https://doi.org/10.17188/1201649
Citation Formats
The Materials Project. Materials Data on PaCl5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1201649.
The Materials Project. Materials Data on PaCl5 by Materials Project. United States. doi:https://doi.org/10.17188/1201649
The Materials Project. 2020.
"Materials Data on PaCl5 by Materials Project". United States. doi:https://doi.org/10.17188/1201649. https://www.osti.gov/servlets/purl/1201649. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1201649,
title = {Materials Data on PaCl5 by Materials Project},
author = {The Materials Project},
abstractNote = {PaCl5 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two PaCl5 ribbons oriented in the (0, 0, 1) direction. Pa5+ is bonded to seven Cl1- atoms to form edge-sharing PaCl7 pentagonal bipyramids. There are a spread of Pa–Cl bond distances ranging from 2.49–2.80 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pa5+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Pa5+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Pa5+ atom.},
doi = {10.17188/1201649},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}
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