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We will develop approaches to visualize, rationalize and understand more complex crystal structures
Outline:
Polyhedral complexes
1. Archetype
2. Strukturbericht
C: 2:1 alloys/compounds
E: ternaries
and/or:
Notes:
Frameworks may distort away from the ideal shape (e.g., cubic)
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Close-Packed Structures are Special
2 atoms per primitive UC: 4 atoms per conv. UC: 2 atoms per conv. UC:
0,0,0 0,0,0 0,0,0
1/3, 2/3, 1/2 1/2, 1/2, 0… 1/2, 1/2, 1/2
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Crystals via Stacking of Close-Packed
Layers of Spheres
A A
C C
B B B
A A A
C C C
B B
A A
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Crystals via Stacking of Close-Packed
Layers of Spheres
A A
C C
B B B
A A A
C C C
B B
A A
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Crystals via Stacking of Close-Packed
Layers of Spheres
A A
C C
B B B
A A A
C C C
B B
A A
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Crystals via Stacking of Close-Packed
Layers of Spheres
A A
C C
B B B
A A A
C C C
B B
A A
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Crystals via Stacking of Close-Packed
Layers of Spheres
A A
C C
B B B
A A A
C C C
B B
A A
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Crystals via Stacking of Close-Packed
Layers of Spheres
A A
C C
B B B
A A A
C C C
B B
A A
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Crystals via Stacking of Close-Packed
Layers of Spheres
A A
C C
B B B
A A A
C C C
B B
A A
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Crystals via Stacking of Close-Packed
Layers of Spheres
A A
C
B B
A A A
C C
B
A A
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Interstitial sites in an FCC crystal
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Interstitial sites in an FCC crystal
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Interstitial sites in Cubic I lattice (BCC crystal)
What is the minimum radius of the interstitial site in a hard sphere model?
Diamond Cubic: FCC with 2-atom basis: 0,0,0 and 1/4, 1/4, 1/4
Eutactic Description:
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Does BCC have a tetrahedral interstitial site?
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Does BCC have a tetrahedral interstitial site?
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What kind of interstitials
are in HCP?
A A
C C
B B B
A A A
C C C
B B
A A A
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What kind of interstitial
sites in HCP?
A A
C C
B B B
A A A
C C C
B B
A A A
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What kind of interstitial
sites in HCP?
A A
C C
B B B
A A A
C C C
B B
A A A
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What kind of interstitial
sites in HCP?
what kind of site is this?
B
A A A
C
B B
A A A
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What kind of interstitial
sites in HCP?
what kind of site is this?
B
A A A
C
B B
A A A
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Eutactic Framework Approach: a way to “make” more complex crystals
and/or:
Notes:
Frameworks may distort away from the ideal shape (e.g., cubic)
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L10 (“CuAu”):
A3
D019
A1
Based on the phase diagram, what eutactic structure might you predict
for D019?
See Rohrer, pg. 155, for the crystal plan — convince yourself that this is
a substituted HCP (no interstitials).
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