Table 2 Bond distances of Ni-O.

From: High cycle life all-solid-state fluoride ion battery with La2NiO4+d high voltage cathode

 

La2NiO4 calculated

Un-fluorinated particle from Fast-ADT

La2NiO4F calculated

La2NiO4F2 calculated

Fluorinated particle from Fast-ADT

dequatorial (Å)

1.94

1.93

2.01

1.97

1.89

dapical (Å)

2.24

2.17

2.05

1.88

1.90

daverage (Å)

2.09

2.05

2.03

1.93

1.90

  1. The values given are based on the structural models determined via Fast-ADT and from DFT-based calculations.
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