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Objectives

(Inorganic) Crystal Structures. All crystal structures may be described in terms of the unit cell and atomic coordinates of the contentsMany inorganic structures may be described as arrays of space filling polyhedra - tetrahedra, octahedra, etc.Many structures - ionic, metallic, covalent - may be described as close packed structures.

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Objectives

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    2. (Inorganic) Crystal Structures All crystal structures may be described in terms of the unit cell and atomic coordinates of the contents Many inorganic structures may be described as arrays of space filling polyhedra - tetrahedra, octahedra, etc. Many structures - ionic, metallic, covalent - may be described as close packed structures

    3. Packing Can pack with irregular shapes

    4. Close packed structures - metals Most efficient way of packing equal sized spheres. In 2D, have close packed layers

    5. Two main stacking sequences:

    6. Two main stacking sequences:

    7. Let’s assume the second layer is B (red). What about the third layer? Two possibilities: (1) Can have A position again (blue). This leads to the regular sequence …ABABABA….. Hexagonal close packing (hcp) (2) Can have layer in C position, followed by the same repeat, to give …ABCABCABC… Cubic close packing (ccp)

    9. No matter what type of packing, the coordination number of each equal size sphere is always 12

    10. The reasons why a particular metal prefers a particular structure are still not well understood

    11. ccp = fcc ?

    13. Close packed ionic structures Ionic structures - cations (+ve) and anions (-ve) In many ionic structures, the anions, which are larger than the cations, form a c.p. array and the cations occupy interstitial holes within this anion array. Two main types of interstitial site: TETRAHEDRAL : CN = 4 OCTAHEDRAL : CN = 6

    15. Ball & Stick view of polyhedra

    16. Solid view of polyhedra

    17. Description Groups of 3 edge-sharing octahedra These groups corner- share

    19. Recurring themes...

    20. Recurring themes...

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