Table 3 Cr-O distances found for each Cr stable configuration

From: DFT+U investigation of local configurations and oxidation states of Cr in Cr-doped UO2

Cr-O distance (Å)

Interstitial Cr+

Cr2+ in VUO

Cr2+ in VU

Cr3+ in VU

First O neighbor

2.43 ± 0.05

2.22 ± 0.03

2.23 ± 0.02

2.17 ± 0.09

Second O neighbor

/

2.64 ± 0.07

2.69 ± 0.02

2.98 ± 0.02

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