x

d_A-O (Å)

Dd_A-O (%)

d_B-O (Å)

Dd_B-O (%)

Experimental

Piox

Experimental

Piox

0.0

1.9051(5)

1.8673

2.02

2.0365(4)

2.0694

1.62

0.2

1.8986(6)

1.8606

2.04

2.0344(5)

2.0684

1.67

0.4

1.8984(6)

1.8584

2.15

2.0310(5)

2.0652

1.68

0.6

1.8963(7)

1.8572

2.11

2.0271(6)

2.0615

1.70

0.8

1.8939(7)

1.8608

1.78

2.0269(6)

2.0566

1.47

1.0

1.8926(7)

1.8976

0.26

2.0213(6)

2.0550

1.67