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AMX DAS-D-0406 User Manual Page 88

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Tab. III.3.2.3 Lageparameter und äquivalente Temperaturfaktoren U
eq
a)
für La
9
O
4
I
16
[pm²]
Lagex/ay/bz/cU
eq
a)
La(1) 32h0,27045(3)0,03947(1)0,27480(6)213(2)
La(2) 32h0,09657(3)0,01884(1)0,31367(6)209(2)
La(3) 8a0,1250,1250,125248(3)
I(1) 32h0,17000(3)0,08518(2)0,41725(8)277(2)
I(2) 32h0,01345(3)0,08443(2)0,25950(8)288(2)
I(3)
32h0,09541(3)0,94209(2)0,33836(7)271(2)
I(4) 32h0,20373(3)0,00285(2)0,57440(7)264(2)
O 32h0,1865(3)0,0110(2)0,1876(8)329(2)
a)
U
eq
= 1/3(U
11
+ U
22
+ U
33
) [31]
Tab. III.3.2.4 Koeffizienten der anisotropen Temperaturfaktoren U
ij
b)
für La
9
O
4
I
16
[pm²]
U
11
U
22
U
33
U
23
U
13
U
12
La(1) 220(3)195(3)224(3)5(2)1(2)-2(2)
La(2) 215(3)238(3)172(3)-1(2)15(2)-4(2)
La(3) 262(7)254(4)230(6)000
I(1) 309(4)234(4)287(4)4(3)15(3)43(3)
I(2) 301(4)259(4)303(4)-43(3)8(3)-35(3)
I(3)
256(4)282(4)276(4)43(3)5(3)-8(3)
I(4) 210(4)364(4)217(3)36(3)2(3)12(3)
O 310(40)400(40)280(40)30(30)-10(30)-10(30)
b)
Der anisotrope Temperaturfaktor hat die Form: exp[-2p(h²a*
2
U
11
+...+ 2hka*b* U
12
)] [32]
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