Materials Data on PuH24C8N2(Cl2O)2 by Materials Project
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
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