Atom

site

x

y

z

NCM-a

NCM-b

NCM-c

NCM-d

Li1

3a

0

0

0

0.9563

0.9623

0.9510

0.9384

Ni2

3a

0

0

0

0.0437

0.0277

0.0290

0.0316

Ni1

3b

0

0

0.5

0.5563

0.5723

0.5710

0.5684