Coordination Number r A /R B (CN) As CN r A 1 = 0 ! " r A /R - - PDF document

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Coordination Number r A /R B (CN) As CN r A 1 = 0 ! " r A /R - - PDF document

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Coordination Number r A /R B (CN) As CN r A 1 = 0 ! " r A /R B R B 2 r A = 0 ! " R B 3 0.155 ! r A < " B B 4 0.225 ! r A < " B B 0.414 ! r A 6 < " B B 0.732 ! r A 8 < " B B 1 ! r A 12 <

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8 12 6 4 3 2 1 rA/RB Coordination Number (CN) As CN ↑ rA/RB ↑

rA RB = 0 ! " rA RB = 0 ! " 0.155 ! rA BB < " 0.225 ! rA BB < " 0.414 ! rA BB < " 1! rA BB < " 0.732 ! rA BB < "

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1:1 2:2 4:4 6:6 8:8 12:12 3:3

constraint of A around B constraint of B around A

Range of radius ratios

Only for AB compounds

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Simple cubic Body centered cubic (BCC)

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Face centered cubic (FCC)

y x a z

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A sites B B B B B B B C sites C C C A B B sites

  • ABCABC... Stacking Sequence
  • 2D Projection
  • FCC Unit Cell

FCC stacking sequence

B B B B B B B B sites C C C A C C C A A B C

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Hexagonal close packed (HCP)

c a a

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120˚

  • rigin

x y 120˚ 1st layer 2nd layer b a a

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HCP stacking sequence

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Comparison between the two close packed structures: FCC and HCP

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Diamond structure

+

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Interstitial sites

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c a a

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Crystallographic planes

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Cl Na

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O2- Zn2+

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F- Ca2+

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