Page 282 - The Effect of Hydrogen and Hydrides - ebook first test

Table 5-1: Symmetry (H= hexagonal, T= trigonal), equilibrium cell parameters, volumes of zirconium and zirconium
hydrides (from ab initio calculations) and transformation strains relative to the Zr phase

Space Point group a (Å) c (Å) V (Å ) Hydride transformation
3
group strains with  phase
T
T
e (%) e (%)
33
11
Zr P63/mmc 6/mmm (H) 3.239 5.188 47.13
Zr2H () P3m1 3m1 (T) 3.266 10.825 100.00 0.8 4.3
̅
3m1 (T)
ZrH () P3m1 ̅ 3.269 5.677 52.53 0.9 9.4
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   








 


14


4
=

2
2

[ 3 12 +2 44 ] 14 ( ) 2
12 +2 44 44 11

11 = 22
12 44 14

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