Space Groups Internal Symmetry of Crystals. Space Groups If translation operations are included with rotation and inversion, We have 230 three-dimensional.

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Presentation transcript:

Space Groups Internal Symmetry of Crystals

Space Groups If translation operations are included with rotation and inversion, We have 230 three-dimensional space groups. Translation operations –Unit cell translations –Centering operations (Lattices) (A, B, C, I, F, R) –Glide planes (reflection + translation) (a, b, c, n, d) –Screw axes (rotation + translation) (2 1, 3 1, 3 2 )

Space Groups 230 three-dimensional space groups Hermann-Mauguin symbols. (4 positions) First position is Lattice type (P, A, B, C, I, F or R) Second, third and fourth positions as with point groups

Lattices (centering operations) P is for primitive

Lattices A, B, and C are end-centered

Lattices I is body-centered (0.5, 0.5, 0.5) –multiplicity = 2 F is face-centered –0.5, 0.5, 0 –0.5, 0, 0.5 –0, 0.5, 0.5 –multiplicity = 4

Lattices R is for rhombohedral –(2/3, 1/3, 1/3) –(1/3, 2/3, 2/3) –multiplicity = 3 –Trigonal system

Screw Diads 2 1 is a 180º rotation plus 1/2 cell translation.

Screw Triads 3 1 is a 120º rotation plus a 1/3 cell translation. 3 2 is a 120º rotation plus a 2/3 cell translation

Screw Tetrads 4 1 is a 90º rotation plus a 1/4 cell translation (right-handed). 4 2 is a 180º rotation plus a 1/2 cell translation (no handedness). 4 3 is a 90º rotation plus a 3/4 cell translation (left-handed).

Screw Hexads 6 1 is a 60º rotation plus a 1/6 cell translation (right-handed). 6 2 is a 120º rotation plus a 1/3 cell translation (right-handed). 6 3 is a 180º rotation plus a 1/2 cell translation (no handedness). 6 4 is a 240º rotation plus a 2/3 cell translation (left-handed). 6 5 is a 300º rotation plus a 5/6 cell translation (left-handed).

Screw Hexads

Glide Planes Reflection plus 1/2 cell translation –a-glide: a/2 translation –b-glide: b/2 translation –c-glide: c/2 translation –n-glide(normal to a): b/2+c/2 translation –n-glide(normal to b): a/2+c/2 translation –n-glide(normal to c): a/2+b/2 translation –d-glide (tetragonal + cubic systems)

Space Group Symmetry Diagrams a-vertical b-horizontal c-normal to page

Space Group Symmetry Diagrams AxisPlane –a 2 1 b –b 2 c –c 2 1 n P 2 1 /b 2/c 2 1 /n = Pbcn

Pbcn (x, y, z) (-x, -y, -z) (x, -y 1 / 2 +z) (-x, y 1 / 2 -z) ( 1 / 2 - x, 1 / 2 + y, z) ( 1 / 2 + x, 1 / 2 - y, -z) ( 1 / 2 - x, 1 / 2 - y, 1 / 2 + z) ( 1 / 2 + x, 1 / 2 + y, 1 / 2 - z)