Crystallography and XRD CSIR and GATE

Q.No:1 CSIR Dec-2014

Consider the crystal structure of sodium chloride which is modeled as a set of touching spheres. Each sodium atom has a radius \(r_1\) and each chlorine atom has a radius \(r_2\). The centres of the spheres form a simple cubic lattice. The packing fraction of this system is
(1) \(\pi\left[\left(\frac{r_1}{r_1+r_2}\right)^3+\left(\frac{r_2}{r_1+r_2}\right)^3\right]\)
(2) \(\frac{2\pi}{3} \frac{r_1^3+r_2^3}{(r_1+r_2)^3}\)
(3) \(\frac{r_1^3+r_2^3}{(r_1+r_2)^3}\)
(4) \(\pi \frac{r_1^3+r_2^3}{2(r_1+r_2)^3}\)

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Option 2

Q.No:2 CSIR June-2015

X-ray of wavelength \(\lambda = a\) is reflected from the (111) plane of a simple cubic lattice. If the lattice constant is \(a\), the corresponding Bragg angle (in radian) is
(1) \(\pi/6\)
(2) \(\pi/4\)
(3) \(\pi/3\)
(4) \(\pi/8\)

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Option 3

Q.No:3 CSIR Dec-2015

The first order diffraction peak of a crystalline solid occurs at a scattering angle of \(30^{\circ}\) when the diffraction pattern is recorded using an x-ray beam of wavelength \(0.15 \text{ nm}\). If the error in measurements of the wavelength and the angle are \(0.01 \text{ nm}\) and \(1^{\circ}\) respectively, then the error in calculating the interplanar spacing will approximately be
(1) \(1.1\times 10^{-2} \text{ nm}\)
(2) \(1.3\times 10^{-4} \text{ nm}\)
(3) \(2.5\times 10^{-2} \text{ nm}\)
(4) \(2.0\times 10^{-3} \text{ nm}\)

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Option 1

Q.No:4 CSIR Dec-2016

Consider a hexagonal lattice with basis vectors as shown in the figure below.
Image
If the lattice spacing is \(a=1\), the reciprocal lattice vectors are
(1) \(\left(\frac{4\pi}{3}, 0\right), \left(-\frac{2\pi}{3}, \frac{2\pi}{\sqrt{3}}\right)\)
(2) \(\left(\frac{4\pi}{3}, 0\right), \left(\frac{2\pi}{3}, \frac{2\pi}{\sqrt{3}}\right)\)
(3) \(\left(0, \frac{4\pi}{\sqrt{3}}\right), \left(\pi, \frac{2\pi}{\sqrt{3}}\right)\)
(4) \(\left(\frac{2\pi}{3}, \frac{2\pi}{\sqrt{3}}\right), \left(-2\pi, \frac{2\pi}{\sqrt{3}}\right)\)

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Option 1

Q.No:5 CSIR June-2018

Sodium Chloride \({NaCl}\) crystal is a face-centred cubic lattice, with a basis consisting of \({Na^{+}}\) and \({Cl^{-}}\) ions separated by half the body diagonal of a unit cube. Which of the planes corresponding to the Miller indices given below will not give rise to Bragg reflection of X-rays?
(1) \(\begin{pmatrix}2&2&0\end{pmatrix}\)
(2) \(\begin{pmatrix}2&4&2\end{pmatrix}\)
(3) \(\begin{pmatrix}2&2&1\end{pmatrix}\)
(4) \(\begin{pmatrix}3&1&1\end{pmatrix}\)

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Option 3

Q.No:6 CSIR June-2018

Hard discs of radius \(R\) are arranged in a two-dimensional triangular lattice. What is the fractional area occupied by the discs in the closest possible packing?
(1) \(\frac{\pi \sqrt{3}}{6}\)
(2) \(\frac{\pi}{3\sqrt{2}}\)
(3) \(\frac{\pi \sqrt{2}}{5}\)
(4) \(\frac{2\pi}{7}\)

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Option 1

Q.No:7 CSIR June-2019

The third-nearest neighbour distance in a BCC (Body Centered Cubic) crystal with lattice constant \(a_0\) is
(1) \(a_0\)
(2) \(3a_0/2\)
(3) \(\sqrt{3}a_0\)
(4) \(\sqrt{2}a_0\)

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Option 4

Q.No:8 CSIR Assam Dec-2016

The basis vectors of a two-dimensional Bravais lattice are \(\vec{e}_1=\frac{1}{2}\hat{i}+\frac{\sqrt{3}}{2}\hat{j}\) and \(\vec{e}_2=\frac{1}{2}\hat{i}-\frac{\sqrt{3}}{2}\hat{j}\). A choice of basis vectors for the reciprocal lattice can be
(1) \(\frac{4\pi}{\sqrt{3}}\left(\frac{1}{2}\hat{i}-\frac{\sqrt{3}}{2}\hat{j}\right)\) and \(\frac{4\pi}{\sqrt{3}}\left(\frac{1}{2}\hat{i}+\frac{\sqrt{3}}{2}\hat{j}\right)\)
(2) \(\frac{4\pi}{\sqrt{3}}\left(\frac{\sqrt{3}}{2}\hat{i}+\frac{1}{2}\hat{j}\right)\) and \(\frac{4\pi}{\sqrt{3}}\left(\frac{\sqrt{3}}{2}\hat{i}-\frac{1}{2}\hat{j}\right)\)
(3) \(2\pi\left(\frac{1}{2}\hat{i}+\frac{\sqrt{3}}{2}\hat{j}\right)\) and \(2\pi\left(\frac{1}{2}\hat{i}-\frac{\sqrt{3}}{2}\hat{j}\right)\)
(4) \(2\pi\left(\frac{\sqrt{3}}{2}\hat{i}+\frac{1}{2}\hat{j}\right)\) and \(2\pi\left(\frac{\sqrt{3}}{2}\hat{i}-\frac{1}{2}\hat{j}\right)\)

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Option 2

Q.No:9 CSIR June-2020

A lattice is defined by the unit vectors \(\vec{a}_1=a\hat{i}, \vec{a}_2=-\frac{a}{2}\hat{i}+\frac{a\sqrt{3}}{2}\hat{j}\) and \(\vec{a}_3=a\hat{k}\), where \(a>0\) is a constant. The spacing between the (\(100\)) planes of the lattice is
(1) \(\sqrt{3}a/2\)
(2) \(a/2\)
(3) \(a\)
(4) \(\sqrt{2}a\)

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Option 1

Q.No:10 CSIR Feb-2022

Potassium chloride forms an \(FCC\) lattice, in which \(K\) and \(Cl\) occupy alternating sites. The density of \(KCl\) is \(1.98 g/cm^3\) and the atomic weights of \(K\) and \(C\)l are \(39.1\) and \(35.5\) , respectively. The angles of incidence (in degrees) for which Bragg peaks will appear when X - ray of wavelength \(0.4\)nm is shone on a \(KCl\) crystal are
(1) \(18.5 ,39.4\) and \(72.2\)
(2) \(19.5\) and \(41.9\)
(3) \(12.5 ,25.7 , 40.5\) and \(60.0\)
(4) \(13.5 ,27.8 , 44.5\) and \(69.0\)

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Option 1

Q.No:11 CSIR Sep-2022

The Figures (i), (ii) and (iii) below represents equilateral triangle, a rectangle and a hexagon respectively.
Image
Which of these can be primitive unit cell of a Bravais lattice in two dimension ?
(1) only (i) and (iii) but not (ii)
(2) only (i) and (ii) but not (iii)
(3) only (ii) and (iii) but not (i)
(4) all of them

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Option 3

Q.No:12 CSIR June-2023

A lattice A consists of all points in three-dimensional space with coordinated (\(n_x,n_y,n_z\)) where \(n_x\), \(n_y\) and \(n_z\) are integers with \(n_x+n_y+n_z\) being odd integers. In another lattice B, \(n_x+n_y+n_z\) are even integers. The lattices A and B are
1) both BCC
2) both FCC
3) BCC and FCC, respectively
4) FCC and BCC, respectively

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Option 2

Q.No:13 CSIR Dec-2023

The lattice constant of the bcc structure of sodium metal is \(4.22 A\). Assuming the mass of the electron inside the metal to be the same as free electron mass, the free electron Fermi energy is closest to
1) \(3.2 \hspace{3mm}eV\)
2) \(2.9 \hspace{3mm}eV\)
3) \(3.5 \hspace{3mm}eV\)
4) \(2.5\hspace{3mm} eV\)

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Option 1

Q.No:14 CSIR Dec-2023

In the section of an infinite lattice shown in the figure below, all sites are occupied by identical hard circular discs so that the resulting structure is tightly packed.
Image
The packing fraction is
1) \( \frac{3\pi}{4} \)
2) \( \frac{\pi}{4} \)
3) \( \frac{3\pi}{16} \)
4) \( \frac{9\pi}{16} \)

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Option 3

Q.No:15 CSIR Dec-2024

The lattice spacing in a simple cubic lattice is given to be \(5\,\text{Ã…}\). The number of lattice points per square nanometer in the lattice plane with Miller index \((212)\) is closest to
1) 7.5
2) 3
3) 1.33
4) 0.66

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Option 3

Q.No:1 GATE-2012

A simple cubic crystal with lattice parameter \(a_c\) undergoes transition into a tetragonal structure with lattice parameters \(a_t=b_t=\sqrt{2}a_c\) and \(c_t=2a_c\), below a certain temperature. The ratio of the interplanar spacings of \(\begin{pmatrix}1&0&1\end{pmatrix}\) planes for the cubic and the tetragonal structures is
(A) \(\sqrt{\frac{1}{6}}\)
(B) \(\frac{1}{6}\)
(C) \(\sqrt{\frac{3}{8}}\)
(D) \(\frac{3}{8}\)

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Option C

Q.No:2 GATE-2013

A lattice has the following primitive vectors (in Angstroms): \(\vec{a}=2(\hat{j}+\hat{k}), \vec{b}=2(\hat{k}+\hat{i}), \vec{c}=2(\hat{i}+\hat{j})\). The reciprocal lattice corresponding to the above lattice is
(A) BCC lattice with cube edge of \(\left(\frac{\pi}{2}\right)\) Angstrom \({}^{-1}\)
(B) BCC lattice with cube edge of \(\left(2\pi\right)\) Angstrom \({}^{-1}\)
(C) FCC lattice with cube edge of \(\left(\frac{\pi}{2}\right)\) Angstrom \({}^{-1}\)
(D) FCC lattice with cube edge of \(\left(2\pi\right)\) Angstrom \({}^{-1}\)

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Option A

Q.No:3 GATE-2014

The Miller indices of a plane passing through the three points having coordinates \((0, 0, 1), (1, 0, 0), \left(\frac{1}{2}, \frac{1}{2}, \frac{1}{4}\right)\) are
(A) \((212)\)
(B) \((111)\)
(C) \((121)\)
(D) \((211)\)

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Option C

Q.No:4 GATE-2014

Neutrons moving with speed \(10^3 m/s\) are used for the determination of crystal structure. If the Bragg angle for the first order diffraction is \(30^{\circ}\), the interplanar spacing of the crystal is _____________ Angstrom.. (Given: \(m_n=1.75\times 10^{-27} kg, h=6.626\times 10^{-34} J.s\))

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Ans 3.91-4.15

Q.No:5 GATE-2015

The lattice parameters \(a, b, c\) of an orthorhombic crystal are related by \(a=2b=3c\). In units of \(a\), the interplanar separation between the \((110)\) planes is _________________ (upto three decimal places)

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Ans 0.445-0.450

Q.No:6 GATE-2016

Atoms, which can be assumed to be hard spheres of radius \(R\), are arranged in an \(fcc\) lattice with lattice constant \(a\), such that each atom touches its nearest neighbours. Take the center of one of the atoms as the origin. Another atom of radius \(r\) (assumed to be hard sphere) is to be accommodated at a position \((0, a/2, 0)\) without distorting the lattice. The maximum value of \(r/R\) is __________. (Give your answer upto two decimal places)

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Ans 0.40-0.42

Q.No:7 GATE-2017

The total energy of an inert-gas crystal is given by \(E(R)=\frac{0.5}{R^{12}}-\frac{1}{R^6}\) (in eV), where \(R\) is the inter-atomic spacing in Angstroms. The equilibrium separation between the atoms is ___________________ Angstroms. (up to two decimal places).

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Ans 0.90-1.10

Q.No:8 GATE-2017

The real space primitive lattice vectors are \(\vec{a}_1=a\hat{x}\) and \(\vec{a}_2=\frac{a}{2}(\hat{x}+\sqrt{3}\hat{y})\). The reciprocal space unit vectors \(\vec{b}_1\) and \(\vec{b}_2\) for this lattice are, respectively
(A) \(\frac{2\pi}{a}(\hat{x}-\frac{\hat{y}}{\sqrt{3}})\) and \(\frac{4\pi}{a\sqrt{3}}\hat{y}\)
(B) \(\frac{2\pi}{a}(\hat{x}+\frac{\hat{y}}{\sqrt{3}})\) and \(\frac{4\pi}{a\sqrt{3}}\hat{y}\)
(C) \(\frac{2\pi}{a\sqrt{3}}\hat{x}\) and \(\frac{4\pi}{a}(\frac{\hat{x}}{\sqrt{3}}+\hat{y})\)
(D) \(\frac{2\pi}{a\sqrt{3}}\hat{x}\) and \(\frac{4\pi}{a}(\frac{\hat{x}}{\sqrt{3}}-\hat{y})\)

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Option A

Q.No:9 GATE-2018

For the given unit cells of a two dimensional square lattice, which option lists all the primitive cells?
Image
(A) 1 and 2
(B) 1, 2 and 3
(C) 1, 2, 3 and 4
(D) 1, 2, 3, 4 and 5

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Option C

Q.No:10 GATE-2019

Consider a three-dimensional crystal of \(N\) inert gas atoms. The total energy is given by \(U(R)=2N\epsilon\left[p\left(\frac{\sigma}{R}\right)^{12}-q\left(\frac{\sigma}{R}\right)^6\right]\), where \(p=12.13, q=14.45\), and \(R\) is the nearest neighbour distance between two atoms. The two constants, \(\epsilon\) and \(R\), have the dimensions of energy and length, respectively. The equilibrium separation between two nearest neighbour atoms in units of \(\sigma\) (rounded off to two decimal places) is ________________

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Ans 1.07-1.11

Q.No:11 GATE-2020

The number of distinct ways the primitive unit cell can be constructed for the two dimensional lattice as shown in the figure is ___________________.
Image

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Ans 5

Q.No:12 GATE-2020

Consider a simple cubic monoatomic Bravais lattice which has a basis with vectors \(\vec{r}_1=0, \vec{r}_2=\frac{a}{4}(\hat{x}+\hat{y}+\hat{z})\), \(a\) is the lattice parameter. The Bragg reflection is observed due to the change in the wave vector between he incident and the scattered beam as given by \(\vec{K}=n_1 \vec{G}_1+n_2 \vec{G}_2+n_3 \vec{G}_3\), where \(\vec{G}_1, \vec{G}_2\), and \(\vec{G}_3\) are primitive reciprocal lattice vectors. For \(n_1=3, n_2=3\) and \(n_3=2\), the geometrical structure factor is __________.

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Ans 2

Q.No:13 GATE-2021

As shown in the figure, X-ray diffraction pattern is obtained from a diatomic chain of atoms \(P\) and \(Q\). The diffraction condition is given by \(a\cos{\theta}=n\lambda\), where \(n\) is the order of the diffraction peak. Here, \(a\) is the lattice constant and \(\lambda\) is the wavelength of the X-rays. Assume that atomic form factors and resolution of the instrument do not depend on \(\theta\). Then, the intensity of the diffraction peaks is
Image
(A) lower for even values of \(n\), when compared to odd values of \(n\)
(B) lower for odd values of \(n\), when compared to even values of \(n\)
(C) zero for odd values of \(n\)
(D) zero for even values of \(n\)

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Option B

Q.No:14 GATE-2021

A two-dimensional square lattice has lattice constant \(a\). \(k\) represents the wavevector in reciprocal space. The coordinates \((k_x, k_y)\) of reciprocal space where band gap(s) can occur, are
(A) \((0, 0)\)
(B) \(\left(\pm \frac{\pi}{a}, \pm \frac{\pi}{a}\right)\)
(C) \(\left(\pm \frac{\pi}{a}, \pm \frac{\pi}{1.3a}\right)\)
(D) \(\left(\pm \frac{\pi}{3a}, \pm \frac{\pi}{a}\right)\)

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Option B,C,D

Q.No:15 GATE-2022

In an X-Ray diffraction experiment on a solid with FCC structure, five diffraction peaks corresponding to (111), (200), (220), (311) and (222) planes are observed using \(1.54\) Angstrom X-rays. On using \(3\) Angstrom X-rays on the same solid, the number of observed peaks will be _________

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Ans 1

Q.No:16 GATE-2022

The X-ray diffraction pattern of a monatomic cubic crystal with rigid spherical atoms of radius \(1.56A \) shows several Bragg reflections of which the reflection appearing at the lowest \(2\theta\) value is from (\(111\)) plane. If the wavelength of X-ray used is \(0.78 A \), the Bragg angle (in \(2\theta\), rounded off to one decimal place) corresponding to this reflection and the crystal structure, respectively, are
(A) \(21.6^\circ\) and body centered cubic
(B) \(17.6^\circ\) and face centered cubic
(C) \(10.8^\circ\) and body centered cubic
(D) \(8.8^\circ\) and face centered cubic

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Option B

Q.No:17 GATE-2025

For a two-dimensional hexagonal lattice with lattice constant \(a\), the atomic density is
A) \(\frac{1}{\sqrt{3}\,a^{2}}\)
B) \(\frac{1}{\sqrt{6}\,a^{2}}\)
C) \(\frac{4}{3\sqrt{3}\,a^{2}}\)
D) \(\frac{1}{3\sqrt{3}\,a^{2}}\)

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Option C

Q.No:18 GATE-2025

Consider a crystal that has a basis of one atom. Its primitive vectors are \[ \vec a_1 = a\,\hat{i}, \qquad \vec a_2 = a\,\hat{j}, \qquad \vec a_3 = \frac{a}{2}(\hat{i} + \hat{j} + \hat{k}), \] where \(\hat{i}, \hat{j}, \hat{k}\) are the unit vectors in the \(x, y, z\) directions of the Cartesian coordinate system and \(a\) is a positive constant. Which one of the following is the correct option regarding the type of the Bravais lattice?
A) It is BCC and the volume of the primitive cell is \(\frac{a^{3}}{2}\).
B) It is FCC and the volume of the primitive cell is \(\frac{a^{3}}{4}\).
C) It is BCC and the volume of the primitive cell is \(\frac{a^{3}}{8}\).
D) It is FCC and the volume of the primitive cell is \(a^{3}\).

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Option A

Q.No:19 GATE-2025

Powder X-ray diffraction pattern of a cubic solid with lattice constant \(a\) has the \((111)\) diffraction peak at \(\theta = 30^\circ\). If the lattice expands such that the lattice constant becomes \(1.25a\), the angle (in degrees) corresponding to the \((111)\) peak changes to \(\sin^{-1}\!\left(\frac{1}{n}\right)\). The value of \(n\) (rounded off to one decimal place) is

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ANS 2.5

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