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    SoM Lecture 7

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    SoM Lecture 7

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    SoM_Lecture_7

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    SoM Lecture 7

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    of 5

    Crystal Structures:

    NaCl, CsCl, etc.

    Dr. Mehnaz Sharmin


    Department of Physics
    Bangladesh University of Engineering and Technology
    Dhaka-1000, Bangladesh
    1
    NaCl Structure

    • NaCl is a cubic type of ionic crystal.


    • FCC type of lattice.
    Cl-: 8 x 1/8 corner + 6 x ½ faces = 4
    Na+: 12 x ¼ edges + 1 center = 4
    Unit
    • So, total 4 NaCl molecules, each 1 1 1
    cell of
    2 2 2
    NaCl is a basis. 000 NaCl
    • Each Na+ 6 nearest neighbor Cl- crystal
    and vice versa.
    • Nearest neighbor distance = a/2. 1 1 1 1 1 1
    Cl-: 0 0 0, 0, 2 0 2, 0 .
    2 2 2 2
    • 2nd neighbor distance =a/√2
    1 1 1 1 1 1
    • Each Na+12 2nd
    nearest neighbor Na+: , 0 0, 0 0, 0 0 2.
    2 2 2 2 2
    Na+ and vice versa.

    2
    Packing Factor of NaCl structure

    Closest packing along nearest


    neighbor distance, a/2= rNa+ + rCl−

    4
    4 × 3 π rNa+ 3 + rCl− 3
    PF =
    2 (rNa+ + rCl− 3

    = 0.67

    Example: LiH, NaCl, KBr, KCl, PbS, NH4I,


    AgBr, MgO, MnO, BaO, etc.

    3
    CsCl Structure
    • CsCl is a simple cubic type of ionic Cs+
    crystal.
    Cs+: 8 x 1/8 corner = 1 Cl-
    Cl-: 1 body center = 1
    • So, total 1 CsCl molecule (basis).
    • Each Cs+ 8 nearest neighbor Cl-
    and vice versa.
    • Nearest neighbor distance = √3a/2.
    • 2nd neighbor distance = a
    • Each Cs+ 6 2nd nearest neighbor Cs+
    Unit
    and vice versa.
    cell of
    1 1 1
    • Cs+: 0 0 0; Cl-: 2 . CsCl
    2 2
    crystal
    4
    Packing Factor of CsCl structure

    Closest packing along nearest neighbor


    distance, √3a/2= rCs+ + rCl−

    4
    1 × 3 π rCs+ 3 + rCl− 3
    PF =
    2/√3 (rCs+ + rCl− 3

    = 0.684

    Example: CsCl, CsBr, NH4Cl, CuZn, TlI,


    TlBr, etc.

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