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Title: Materials Data on PrI2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1275204· OSTI ID:1275204

PrI2 is trigonal omega-like structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pr is bonded to six I atoms to form edge-sharing PrI6 octahedra. There are three shorter (3.18 Å) and three longer (3.32 Å) Pr–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three equivalent Pr atoms. In the second I site, I is bonded in a 3-coordinate geometry to three equivalent Pr 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:
1275204
Report Number(s):
mp-569673
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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