UPSC MainsGEOLOGY-PAPER-II201910 Marks
Q1.

What are the principles of Miller Indices and Hermann Maugin notation for a crystal face? Calculate Miller Indices of a crystal face which intersects a-axis at 2 unit distance, b-axis at 3 unit distance and is parallel to c-axis.

How to Approach

This question requires a demonstration of understanding of fundamental concepts in crystallography – Miller Indices and Hermann-Mauguin notation. The approach should begin with defining these concepts, explaining their significance in describing crystal faces and orientations. Then, a step-by-step calculation of Miller Indices based on the given intercepts should be presented. Clarity and precision in the calculation are crucial. The answer should be structured logically, starting with definitions, followed by explanation, calculation, and finally, a concise summary.

Model Answer

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Introduction

Crystallography, the science dealing with crystals and their structure, relies heavily on mathematical notations to describe the orientation of crystal faces. Miller Indices and the Hermann-Mauguin notation are fundamental tools in this field, providing a standardized way to represent these orientations. Developed by William Hallowes Miller in 1839, Miller Indices allow for the unambiguous identification of crystal planes. The Hermann-Mauguin notation extends this system to include symmetry elements, providing a complete description of a crystal's structure. Understanding these notations is crucial for interpreting diffraction patterns, predicting physical properties, and characterizing mineral structures.

Principles of Miller Indices

Miller Indices are a system of three integers (h, k, l) that uniquely identify a crystal plane. They are determined by the reciprocals of the intercepts of the plane with the crystallographic axes (a, b, c). The procedure for determining Miller Indices involves the following steps:

  • Step 1: Identify the intercepts of the plane on the three crystallographic axes.
  • Step 2: Take the reciprocals of these intercepts.
  • Step 3: Clear the fractions by multiplying all the reciprocals by the smallest common denominator.
  • Step 4: Enclose the resulting integers in parentheses (hkl).

Planes parallel to an axis have an infinite intercept, and their reciprocal is zero. Zero is represented by 0 in the Miller Indices. A plane intersecting an axis at infinity is represented by a bar over the corresponding index (e.g., (10̄1)).

Principles of Hermann-Mauguin Notation

The Hermann-Mauguin notation is an extension of Miller Indices that incorporates symmetry elements present in the crystal structure. It uses the following symbols:

  • (hkl): Represents the crystal face, as defined by Miller Indices.
  • {hkl}: Represents a set of equivalent crystal faces, generated by symmetry operations.
  • [hkl]: Represents a crystal direction.
  • : Represents a crystal zone, a family of parallel planes.
  • m, 2, 3, 4, 6: Represent mirror planes, twofold rotation axes, threefold rotation axes, fourfold rotation axes, and sixfold rotation axes, respectively.
  • n: Represents an n-fold rotation axis.

This notation provides a complete and concise description of the crystal's symmetry and orientation.

Calculation of Miller Indices

Given that the crystal face intersects the a-axis at 2 unit distance, the b-axis at 3 unit distance, and is parallel to the c-axis, we can calculate the Miller Indices as follows:

  • Intercepts: a = 2, b = 3, c = ∞
  • Reciprocals: 1/2, 1/3, 1/∞ = 0
  • Clearing fractions: Multiplying by the least common multiple (LCM) of 2 and 3, which is 6, we get: (1/2)*6, (1/3)*6, 0*6 = 3, 2, 0
  • Miller Indices: (320)

Therefore, the Miller Indices of the crystal face are (320). This indicates that the plane intersects the a-axis at 2 units, the b-axis at 3 units, and is parallel to the c-axis.

Example of using a table to illustrate intercepts and reciprocals:

Axis Intercept Reciprocal
a 2 1/2
b 3 1/3
c 0

Conclusion

In conclusion, Miller Indices and the Hermann-Mauguin notation are essential tools for describing and understanding crystal structures. The calculation of Miller Indices, as demonstrated, involves a systematic process of determining intercepts, reciprocals, and clearing fractions. These notations are fundamental to various fields, including mineralogy, materials science, and solid-state physics, enabling precise communication and analysis of crystalline materials. Further advancements in crystallography continue to refine these notations and expand our understanding of the intricate world of crystals.

Answer Length

This is a comprehensive model answer for learning purposes and may exceed the word limit. In the exam, always adhere to the prescribed word count.

Additional Resources

Key Definitions

Crystallographic Axis
A crystallographic axis is one of the three imaginary lines that intersect at right angles and are used as reference lines for defining the orientation of crystal faces and directions.
Polymorphism
Polymorphism refers to the ability of a solid material to exist in more than one crystal structure. These different structures, called polymorphs, have the same chemical composition but different physical properties.

Key Statistics

As of 2023, the Inorganic Crystal Structure Database (ICSD) contains data on over 200,000 inorganic crystal structures.

Source: ICSD - Inorganic Crystal Structure Database (https://www.crystallography.org/icsd/)

Approximately 90% of pharmaceutical compounds are crystalline, and polymorphism significantly impacts their bioavailability and efficacy.

Source: Bailey, H. (2002). Polymorphism in pharmaceutical solids. Advanced Drug Delivery Reviews, 54(1), 39-58.

Examples

Diamond Structure

The diamond structure, a classic example in crystallography, exhibits a high degree of symmetry and is described using the Hermann-Mauguin notation. Its space group is Fd3m, indicating its face-centered cubic lattice with specific symmetry elements.

Frequently Asked Questions

What is the difference between (hkl) and {hkl} in Hermann-Mauguin notation?

(hkl) represents a single crystal face, while {hkl} represents a set of equivalent crystal faces generated by symmetry operations. For example, {100} includes all faces perpendicular to the a-axis.

Topics Covered

GeologyMineralogyCrystallographyCrystal SystemsMineral IdentificationX-ray Diffraction