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Title: Materials Data on PuI2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1312068· OSTI ID:1312068

PuI2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Pu is bonded to six equivalent I atoms to form a mixture of corner and edge-sharing PuI6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are four shorter (3.21 Å) and two longer (3.25 Å) Pu–I bond lengths. I is bonded in a distorted T-shaped geometry to three equivalent Pu atoms.

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:
1312068
Report Number(s):
mp-867500
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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