skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on PuH24C8N2(Cl2O)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1701498· OSTI ID:1701498

Pu(OCl2)2(N(CH3)4)2 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and two Pu(OCl2)2 clusters. In each Pu(OCl2)2 cluster, Pu6+ is bonded in a distorted octahedral geometry to two O2- and four Cl1- atoms. Both Pu–O bond lengths are 1.79 Å. There are two shorter (2.64 Å) and two longer (2.67 Å) Pu–Cl bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Pu6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Pu6+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pu6+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pu6+ 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:
1701498
Report Number(s):
mp-1203606
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on UH24C8N2(Cl2O)2 by Materials Project
Dataset · Sat Jan 12 00:00:00 EST 2019 · OSTI ID:1701498

Materials Data on CuH12N2(Cl2O)2 by Materials Project
Dataset · Sat Jul 18 00:00:00 EDT 2020 · OSTI ID:1701498

Materials Data on K2CuH4(Cl2O)2 by Materials Project
Dataset · Thu Jul 23 00:00:00 EDT 2020 · OSTI ID:1701498