Table 1 Variation in the proton distribution around oxygen atoms with displacement dz.

From: Atomic scale study of stress-induced misaligned subsurface layers in KDP crystals

dz (Ã…)

1a

1b

1c

1d

2a

2b

2c

2d

3a

3b

3c

3d

4a

4b

4c

4d

0–2.2

s

s

l

l

l

s

l

s

s

s

l

l

l

s

l

s

2.4

s

s

l

l

l

s

 

sl

s

s

l

l

l

s

 

sl

2.6–4.4

s

l

s

l

s

s

 

ll

s

s

l

l

l

s

 

sl

4.6

s

l

s

l

s

s

 

ll

s

s

l

 

l

s

l

sl

4.8

s

l

s

s

s

s

 

ll

s

l

s

 

s

l

l

ll

5

s

l

s

m

s

s

 

ll

s

l

s

 

s

m

l

ll

5.2–6

s

l

s

l

s

s

 

ll

s

l

s

 

s

s

l

ll

8.4–10

s

s

ll

 

ll

s

 

s

s

s

s

 

l

s

l

ll

20.6–22

l

s

s

  

s

ll

s

s

s

ll

 

l

ll

s

s

24.8–27.6

l

s

l

s

l

s

l

s

s

l

l

s

l

l

s

s

35.4–37.2

s

ll

 

s

sl

l

 

s

s

 

l

s

ll

l

s

s

  1. In the first row, the Arabic numerals (1, 2, 3, 4) are the series numbers of four PO4 tetrahedrons in the primitive cell of KDP, and the subscripts a, b, c and d denote four oxygen atoms in each PO4 tetrahedron, respectively.