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Anandh Subramaniam & Kantesh Balani

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1 Anandh Subramaniam & Kantesh Balani
POINT GROUPS & SPACE GROUPS A Detailed Exploration MATERIALS SCIENCE & ENGINEERING Anandh Subramaniam & Kantesh Balani Materials Science and Engineering (MSE) Indian Institute of Technology, Kanpur URL: home.iitk.ac.in/~anandh AN INTRODUCTORY E-BOOK Part of A Learner’s Guide Space Group diagrams and tables Magnetic Space groups

2 Click here to read about basics of symmetry
Point Groups and Space Groups: a detailed look Click here to read about basics of symmetry We have already considered an overview of point groups and space groups. Here we have a more detailed look at various related aspects. The number of lattices, crystal systems, point groups and space groups in 1D, 2D & 3D is listed in the table below. We will get to the details soon. Number of 1D 2D 3D Lattices 1 5 14 Crystal Systems 2 4 7 Point Groups 10 32 Magnetic 90 Space Groups 17 230 1651

3 1D m1 m2 There is only one type of lattice (the simple lattice).
There are only two point groups in 1D 1, m This ‘m’ can be thought of as ‘m’ or a 2-fold or a ‘i’  as in 1D all these are equivalent. There are two crystal systems having 1, m symmetry. Two mirror points (extended for better visibility- planes become points in 1D !!) m m1 m2 1 (with only t)

4 Point Group Symmetry Present
2D There are 5 plane lattices  parallelogram, simple rectangle, centred rectangle, square, 120 rhombus. 4 crystal systems  parallelogram, rectangle, (120) rhombus, square. 10 point groups  1, 2, m, 2mm, 4, 4mm, 3, 3m, 6, 6mm. 17 space groups (next slide). Point Group Symmetry Present Lattice Type Unit Cell Shape Single Combinations 1, 2 Parallelogram m 2mm Rectangle Centred Rectangle 4 4mm Square 3, 6 3m, 6mm 120 Rhombus

5 Highest Point Group Symmetry
System (& Unit Cell Shape) Lattice Highest Point Group Symmetry Space Group symbols Space group number Full Short Parallelogram Primitive (p) 1 p1 " 2 p211 p2 Rectangle m p1m1 pm 3 p1g1 pg 4 Centred (c) c1m1 cm 5 2mm p2mm pmm 6 p2mg pmg 7 p2gg pgg 8 c2mm cmm 9 Square p4 10 4mm p4mm p4m 11 p4gm p4g 12 120 Rhombus p3 13 3m p3m1 14 p31m 15 p6 16 6mm p6mm p6m 17

6 Highest symmetry class is in blue
The 32 Point Groups Highest symmetry class is in blue The possible combinations of crystallographic symmetry operators

7 Getting the 32 point groups

8 Order of the point group of the lattice*
Crystal system Number of point groups Order of the point group of the lattice* Sum of the orders of various point groups Cubic 5 48 132 Hexagonal 7 24 84 Tetragonal 16 56 Trigonal 12 33 Orthorhombic 3 8 Monoclinic 4 Triclinic 2 Total 32 332 * The order for the highest symmetry point group for each crystal system is given. E.g. for cubic (4/m 3 2/m) point group has a order 48 → if we start with a general point then a total of 48 points is obtained

9 Laue groups A centrosymmetric property imparts a (pseudo) centre of symmetry to a crystal . The crystal will seem to have a centre of symmetry with respect to that property even if is actually absent + = 2 i 2/m

10 Asymmetric unit for various point groups
Let us consider the aysmmetric unit for each of the point groups using sterographic projections.

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