UPSC Combined Geo-Scientist, Mains · 2022 · Mains Paper II
Q1(d). Why KCl diffracts like a simple cubic lattice
Question
Both NaCl and KCl crystallize in the same cubic pattern. However, X-ray diffraction study reveals that NaCl has FCC while KCl has SCC pattern — Explain.
Answer in brief
K⁺ and Cl⁻ are isoelectronic (18 e each), so they scatter X-rays almost equally; the all-odd (hkl) lines cancel and KCl looks simple cubic with edge a/2.
Key points
- Both have the rock-salt structure: fcc lattice with basis M at (0, 0, 0) and Cl at (½, 0, 0); Z = 4.
- Structure factor: F = 4(fM + fCl) for h, k, l all even; 4(fM − fCl) for all odd; 0 for mixed.
- X-rays are scattered by electrons, f ∝ number of electrons; K⁺ (18 e) ≈ Cl⁻ (18 e) ⇒ F(odd) ≈ 0: (111), (311), (331) are absent in KCl.
- Remaining KCl lines have h² + k² + l² ∝ 1, 2, 3, 4, 5, 6: they index as simple cubic with edge a/2 = 3.15 Å.
- NaCl: Na⁺ (10 e) ≠ Cl⁻ (18 e), so the odd lines appear (weak): fcc, a = 5.64 Å.
The full model answer
As written for the answer booklet: the diagram carries the working, the lines stay short. Read here only; it is not offered as a download.

CoversX-ray diffractionstructure factorNaClKClfcc latticesystematic absences
All parts of Question 1
- 1(a) Postulates of kinetic theory and the two that fail5 marks
- 1(b) Boyle temperature of oxygen as a van der Waals gas5 marks
- 1(c) Temperature coefficient of conductivity: metal and semiconductor5 marks
- 1(d) Why KCl diffracts like a simple cubic lattice5 marks
- 1(e) Reversal of HCl + NH₃ ⇌ NH₄Cl with temperature5 marks
- 1(f) ΔG for compressing a real gas, from fugacities5 marks
- 1(g) Half-life of a second-order reaction5 marks
- 1(h) Brownian movement and Tyndall effect: why only colloids5 marks
- 1(i) Nernst equation for the redox electrode Pt | Cr⁶⁺, Cr³⁺5 marks
- 1(j) Same electrode positive or negative5 marks
- 1(k) Energy uncertainty of an excited state5 marks
- 1(l) Eigenvalues of a Hermitian operator are real5 marks
- 1(m) Rotational constants of ¹⁴N¹⁶O and ¹⁵N¹⁶O5 marks
- 1(n) Photon–molecule interaction in rotating HCl5 marks
- 1(o) Why radiative transitions are drawn vertical5 marks
- 1(p) Energy of one einstein at 600 nm and 300 nm5 marks