Table 1 Average coordination numbers in Li2S-P2S5 glasses up to r = 3.2 Å derived from the DFT/RMC model.

From: Structural and electronic features of binary Li2S-P2S5 glasses

Samples

67Li2S glass

70Li2S glass

75Li2S glass

N P−Li

2.04

2.20

3.23

N P−P

0.36

0.13

0.09

N P−S

3.64

3.87

3.92

N Li−Li

0.55

0.66

0.79

N Li−P

0.98

0.94

1.11

N Li−S

4.74

4.57

4.58

N S−Li

2.93

2.96

3.41

N S−P

1.09

1.07

1.00

N S−S

0.40

0.28

0.21

  1. Ni−j: partial coordination number of j atoms around i atoms.
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