Table 2 Median distances to the neighboring sites in the local environment of the Ni-sites. element indicates the species of the neighboring site and index represents the index of the sorted (in ascending order) neighboring sites per species. All results are given in Å and aggregated per neighboring element and cluster.

From: Combinatorial ab initio calculations and core spectroscopy unravel the electronic structure of nickel cobalt manganese oxide

Element

Cluster neighbor index

1

2

3

4

Li

1

2.86

2.84

2.84

2.85

2

2.88

2.86

2.87

2.89

3

2.90

2.88

2.89

2.91

4

2.91

2.90

2.90

2.92

5

2.91

2.92

2.93

2.94

6

-

2.94

2.95

2.96

Mn

1

-

2.80

-

2.82

2

-

-

-

2.84

Ni

1

-

2.90

2.89

2.91

2

-

2.90

-

2.91

3

-

2.92

-

2.91

O

1

1.91

2.01

1.91

2.00

2

1.92

2.02

1.92

2.02

3

1.92

2.03

1.94

2.03

4

1.93

2.05

1.95

2.05

5

1.93

2.07

2.08

2.09

6

1.94

2.10

2.12

2.11

7

-

3.40

3.41

3.41

8

-

3.43

3.63

3.41

9

-

-

-

3.40

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