Materials Data on PaCl5 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1201649· OSTI ID:1201649

The Materials Project

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.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1201649
• Report Number(s): mp-27436
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
PaCl5
Cl-Pa