Pna21
|
Li |
In |
Se1 |
Se2 |
|
|
|
|
|
charge |
0.85 |
0.91 |
-0.89 |
-0.87 |
|
|
|
|
|
R-3m
|
Li |
In |
Se1 |
Se2 |
|
|
|
|
|
charge |
0.84 |
1.02 |
-0.93 |
-0.93 |
|
|
|
|
|
P4/mmm
|
Li1 |
Li2 |
Li3 |
Li4 |
Li5 |
Li6 |
In |
Se1 |
|
charge |
0.71 |
0.7 |
0.7 |
0.7 |
0.7 |
0.7 |
-2.4 |
-1.81 |
|
Immm |
Li1 |
Li2 |
Li3 |
Li4 |
Li5 |
Li6 |
Li7 |
Li8 |
Li9 |
charge |
0.74 |
0.74 |
0.74 |
0.74 |
0.72 |
0.72 |
0.75 |
0.75 |
0.75 |
|
In |
Se1 |
Se2 |
|
|
|
|
|
|
|
-2.9 |
-1.88 |
-1.87 |
|
|
|
|
|
|
Immm |
Li1 |
Li2 |
Li3 |
Li4 |
Li5 |
Li6 |
Li7 |
Li8 |
Li9 |
charge |
0.75 |
0.75 |
0.75 |
0.75 |
0.75 |
0.77 |
0.77 |
0.757 |
0.757 |
|
In1 |
In2 |
Se |
|
|
|
|
|
|
|
-2.4 |
-2.5 |
-1.87 |
|
|
|
|
|
|
I-42d
|
Li |
In |
Te1 |
Te2 |
|
|
|
|
|
charge |
0.84 |
0.7 |
-0.77 |
-0.77 |
|
|
|
|
|
P-3m1 |
Li |
In |
Te1 |
Te2 |
|
|
|
|
|
charge |
0.85 |
0.62 |
-0.73 |
-0.74 |
|
|
|
|
|
P4/mmm
|
Li1 |
Li2 |
Li3 |
Li4 |
Li5 |
Li6 |
In |
Te1 |
|
charge |
0.78 |
0.76 |
0.76 |
0.76 |
0.76 |
0.75 |
-2.75 |
-1.81 |
|
Immm |
Li1 |
Li2 |
Li3 |
Li4 |
Li5 |
Li6 |
Li7 |
Li8 |
Li9 |
charge |
0.75 |
0.75 |
0.75 |
0.75 |
0.72 |
0.76 |
0.76 |
0.73 |
0.73 |
|
In1 |
Te1 |
Te2 |
|
|
|
|
|
|
|
-3.14 |
-1.78 |
-1.78 |
|
|
|
|
|
|