Problems Sheet - II

Course: Structure and Properties of Matter Course Code: IPYT602

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Topic: Crystal Structure of Solids

(1) Consider the NaCl crystal structure. If the lattice constant a = 0.563 nm, what is the distance from a sodium
atom to the nearest chlorine? What is the distance from a sodium atom to the nearest other sodium atom?

(2) The diagram shows a plan view of a structure of cubic ZnS (zincblende)
looking down the z-axis. The numbers attached to some atoms represent the
heights of the atoms above the z = 0 plane expressed as a fraction of the cube
edge 𝑎. Unlabeled atoms are at z = 0 and z = a. (a) What is the Bravais lattice
type? (b) Describe the basis. (c) Given that a = 0.541 nm, calculate the nearest
neighbor Zn–Zn, Zn–S, and S–S distances.

(3) Consider a lattice with a sphere at each lattice point. Choose the radius of the spheres to be such that
neighboring spheres just touch. Calculate the packing fraction for (a) a simple cubic lattice, (b) a body
centered cubic lattice and (c) a face centered cubic lattice.

(4) Show that the reciprocal lattice of an fcc (face-centered cubic) lattice is a bcc (body-centered cubic) lattice.
Correspondingly, show that the reciprocal lattice of a bcc lattice is an fcc lattice. If an fcc lattice has
conventional unit cell with lattice constant a, what is the lattice constant for the conventional unit cell of the
reciprocal bcc lattice? Consider now an orthorhombic face-centered lattice with conventional lattice
constants a1, a2, a3. What it the reciprocal lattice now?

(5) Explain briefly what is meant by the terms “crystal planes” and “Miller indices”. Show that the general
direction [ℎ𝑘𝑙] in a cubic crystal is normal to the planes with Miller indices (ℎ𝑘𝑙). Is the same true in
general for an orthorhombic crystal? Show that the spacing 𝑑 of the (ℎ𝑘𝑙) set of planes in a cubic crystal
𝑎
with lattice parameter 𝑎 is 𝑑 = 2 2 2 . What is the generalization of this formula for an orthorhombic
√ℎ +𝑘 +𝑙
crystal?

(6) (a) Define the term Reciprocal Lattice. (b) Show that if a lattice in 3d has primitive lattice
vectors a, b and c then primitive lattice vectors for the reciprocal lattice can be taken as
(𝑏  c) (𝑐  a) (𝑎  b)
𝑎 ∗ = 2𝜋 [𝑎 , 𝑏 ∗ = 2𝜋 [𝑎 and 𝑐 ∗ = 2𝜋 [𝑎 what is the proper formula in 2𝑑 ?
 (𝑏  c)]  (𝑏  c)]  (𝑏  c)]
2𝜋
(c) Define tetragonal and orthorhombic lattices. For an orthorhombic lattice, show that |𝑎𝑖∗ | = |𝑎 | .
𝑖
∗ ∗ ∗ 2𝜋
Hence, show that the length of the reciprocal lattice vector 𝐺 = ℎ𝑎 + 𝑘𝑏 + 𝑙𝑐 is equal to , where d
𝑑
is the spacing of the (ℎ𝑘𝑙) planes.

(7) A two-dimensional rectangular crystal has a unit cell with sides a1 = 0.468 nm and a2 = 0.342 nm.
(a) Draw to scale a diagram of the reciprocal lattice. Label the reciprocal lattice points for indices in the
range 0 ≤ h ≤ 3 and 0 ≤ k ≤ 3. (b) Draw the first and second Brillouin zones using the Wigner–Seitz
construction.
(8) Show that for an ideal hexagonal close packing structure, where the atomic spheres touch each other,
𝑐
the ratio of lattice parameters, ( ) = 1.63.
𝑎

(9) Prove that in a lattice of cubic symmetry the direction [h k l] is perpendicular to the plane (h k l) with the
same indices.

(10) Consider a plane (hkl) in a crystal lattice. (a) Prove that the reciprocal lattice vector 𝐺 = ℎ𝑎 ∗ + 𝑘𝑏 ∗ + 𝑙𝑐 ∗
is perpendicular to this plane. (b) Prove that the distance between two adjacent parallel planes of the lattice
2𝜋
is 𝑑(ℎ𝑘𝑙) = |𝐺| .

√3𝑎 𝑎
(11) The primitive translational vectors of the hexagonal space lattice may be taken as 𝑎  = ( ) 𝑥̂ + ( ) 𝑦̂ ;
2 2
 √3𝑎 𝑎 
𝑏  = −( ) 𝑥̂ + ( ) 𝑦̂ and 𝑐  = 𝑐𝑧̂.
2 2
√3
(a) Show that the volume of the primitive cell is ( ) 𝑎2 𝑐. (b) Show that the primitive translational of the
2
∗ 2𝜋 2𝜋 ∗ 2𝜋 2𝜋 2𝜋
reciprocal lattice are 𝑎 = ( ) 𝑥̂ + ( ) 𝑦̂ ; 𝑏 = − ( ) 𝑥̂ + ( ) 𝑦̂, and 𝑐  ∗ = ( ) 𝑧̂, so that the
√3𝑎 𝑎 √3𝑎 𝑎 𝑐
lattice is its own reciprocal, but with rotation of axes. (c) Describe and sketch the first Brillouin zone of the
hexagonal lattice.

2𝜋
(12) Show that the volume of the first Brillouin is where 𝑉𝑐 is the volume of a crystal primitive cell.
𝑉𝑐

(13) Sketch the following lattice planes within cubic unit cells. (a) (001) (b) (101) (c) (001) (d) (021) (e) (210)
(f) (211) (g) (12̅1) (h) (1̅11̅) (i) (123) and (j) (01̅0).

(14) Find the angle between [110] and [011] directions in a cubic lattice?

(15) Consider the following pattern:

q p d b q p d b q p d b q p d b ..

q p d b q p d b q p d b q p d b ..

q p d b q p d b q p d b q p d b ..

: : : : : : : : :

Indicate: (a) a rectangular unit cell, (b) a primitive unit cell and (c) the basis of the letters associated with
each lattice point.

(16) Describe the following space groups and write the corresponding point groups.
(a) Orthorhombic: Pmc21, (b) Trigonal: R3̅c (c) Cubic: P4332, and (d) Tetragonal: I41/amd

(17) The Bragg angle for a certain reflection from a power specimen of copper is 47.75 at the temperature of
293 K and 46.60 at 1273 K. Calculate the coefficient of linear thermal expansion of copper?

(18) When a crystal is subjected to a monochromatic x-ray beam, the first order diffraction is obtained at an
angle of 15. Determine the angle for third order when the same x-ray beam is used?

(19) Show that the greater is the angle of diffraction, greater will be the accuracy in determining the lattice
parameter.

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