7 Space Groups and Point Groups
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1 7 Space groups and point groups In certain cases the simple form may consist of merely one face (monohedron), two parallel faces (pinacoid), or two intersecting faces (dihedron). Shubnikov [1]. In the plane or in two dimensions there are 17 groups, in space or in three dimensions there are 230 groups. The number of groups increases rapidly when adding on dimension. The permutations in space under the constraint of periodic translation give the 230 groups. From the allowed symmetry operations - thus under the constraint of periodic translation - comes the 32 point groups. Instead of 10 in 2D. A particular combination of the variables like x,y,z corresponds to coordinates for a point in space. If we add them up like x+y+z they represent a surface. In order to keep an identity of each surface you may go cyclic (cosπ[x+y+z]) which has shown to be of extreme power in mathematics or natural science. Another way is to go exponential as below and surfaces keep again their identity and collaborate to give finite shapes. We describe the fundamental permutations of variables under the constraint of the allowed symmetry –the 32 point groups – as mathematical functions using the exponential scale. These general permutations and also some special permutations (that correspond to the special positions in a group) describe the 47 simple forms which crystals may take [1]. In these simple forms, all faces are equal to one another. Each term of permutation x,y,z describes the {hkl} faces of the simple form of the crystal of the corresponding mineral. Mathematically we use the concept of how planes build symmetries. Which is normal as periodic structures – like crystals – can be described as built of planes. In the permutations below for a position of type x,x,x in crystallographic literature we use x,y,z in the calculations in the Cartesian system of Mathematica. For a position of type x,y,z in the crystallographic literature we use here x,2y,3z, whenever needed. This is particularly useful for the cubic system as will come in the next chapter. The point groups except the cubic In our exponential expressions for planes to describe various forms it is possible to simplify, and certainly so in the use of hyperbolic functions for the centric cases. But we have preferred to use the elaborated expressions that are to be compared with the space group co-ordinates of equivalent positions. The names are after Shubnikov[1], and also from Bob’s rockshop[2]. 2 7.1 The triclinic, monoclinic and orthorhombic groups Below we give the groups with symbols, numbers and equivalent positions after the crystallographic literature[3]. Numbers in brackets are the Shubnikov numbers for the simple forms. P1 is group no 1 and has the co-ordinates x,y,z. We formulate the equation 7.1.1. And the figure is in 7.1.1. P1 No.1 x,y,z; x+ y+z e = 100 7.1.1 P 1 No.2 x,y,z; -x,-y,-z; This group has a centre of symmetry, as is obvious from figure 7.1.2. Its equation is in 7.1.2. x+ y+z ! x! y!z e + e = 100 7.1.2 The figures are called monohedron resp pinacoid(Shub 32). Figure 7.1.1 Monohedron Figure 7.1.2 Pinacoid P2 No.3 x,y,z; -x,y,-z; x+ y+z ! x+ y!z e + e = 100 7.1.3 The form is called dihedron, one plane is continually bent to another. 3 Figure 7.1.3a Dihedron b Different projection Pm No.6 x,y,z; x,-y,z; x+ y+z x! y+z e + e = 100 7.1.4 This form in figure 7.1.4 is also called dihedron(Shub 31). Bending again, but in another direction. Figure 7.1.4a Dihedron b Different projection P2/m No.10 x,y,z; -x,-y,-z; x,-y,z; -x,y,-z; x+ y+z ! x! y!z x! y+z ! x+ y!z e + e + e + e = 1000 7.1.5 The shape in figure 7.1.5 is an orthorhombic prism (Shub 15). Figure 7.1.5a Orthorhombic prism b Different projection 4 P222 No.16 x,y,z; -x,-y,z; x,-y,-z; -x,y,-z; Below is also the equation for a regular tetrahedron given in 7.1.6 to be compared with the next simple form 7.1.7. x+ y+z ! x! y+z x! y!z ! x+ y!z e + e + e + e = 1000 7.1.6 x+ 2y+3z !x! 2y+3z x!2 y! 3z !x+2 y! 3z e + e + e + e = 1000 7.1.7 The shape of this simple form in figure 7.1.7 is an orthorhombic tetrahedron (Shub 22). Figure 7.1.6 Regular tetrahedron Figure 7.1.7 Orthorhombic tetrahedron Pmm2 No.25 x,y,z; -x,-y,z; x,-y,z; -x,y,z; x+ 2y+3z !x! 2y+3z x!2 y+ 3z !x+2 y+ 3z e + e + e + e = 1000 7.1.8 The name of this simple form as shown in figure 7.1.8 is orthorhombic pyramid (Shub 1). Figure 7.1.8 Orthorhombic pyramid. Pmmm No.47 x,y,z; -x,-y,z; x,-y,-z; -x,y,-z; -x,-y,-z; x,y,-z; -x,y,z; x,-y,z; x 2y 3z x 2y 3z x 2 y 3z x 2 y 3z e + + + e! ! + + e ! ! + e! + ! + ! (x+2 y+3z) ! (!x!2 y+3z) ! (x! 2y+3z) !(!x + 2y+3z) e + e + e + e = 1000 7.1.9 5 The name is orthorhombic bipyramid (Shub 8), which is shown in figure 7.1.9. Figure 7.1.9a Orthorhombic bipyramid. b Different projection 7.2 Tetragonal groups P4 No.75 x,y,z; -x,-y,z; y,-x,z; -y,x,z; x+ 2y+3z !x! 2y+3z 2x! y+ 3z !2x+ y+ 3z 5 e + e + e + e = 10 7.2.1 The name is tetragonal pyramid(Shub 4) and shown in figure 7.2.1. Figure 7.2.1a Tetragonal pyramid b Different projection. P 4 No. 81 x,y,z; -x,-y,z; y,-x,-z; -y,x,-z; x+ 2y+3z !x! 2y+3z 2x! y! 3z !2x+ y! 3z 5 e + e + e + e = 10 7.2.2 The name is tetragonal tetrahedron(Shub 25)and shown in figure 7.2.2. Figure7.2.2a Tetragonal tetrahedron. b Different projection. 6 P4/m No.83 x,y,z; -x,-y,z; x,y,-z; -x,-y,-z; -y,x,z; y,-x,z; -y,x,-z; y,-x,-z; x 2y 3z x 2y 3z x 2y 3z x 2 y 3z e + + + e! ! + + e + ! + e! ! ! 7.2.3 !2x+ y+ 3z 2x! y+3z !2x+ y! 3z 2x! y!3z 6 + e + e + e + e = 10 The name is tetragonal bipyramid (Shub 11) and shown in figure 7.2.3. Figure 7.2.3a Tetragonal bipyramid. b Different projection. P422 No.89 x,y,z; -x,-y,z; -x,y,-z; x,-y,-z; -y,-x,-z; y,x,-z; -y,x,-z; y,-x,-z; x 2y 3z x 2y 3z x 2y 3z x 2 y 3z e + + + e! ! + + e! + ! + e ! ! 7.2.4 !2x! y! 3z 2x+ y!3z 2x! y+3z !2x + y+3z 6 + e + e + e + e = 10 The name is the tetragonal trapezohedron (Shub 26) and shown in figure 7.2.4. Figure 7.2.4a Tetragonal trapezohedron. b Different projection. 7 P4mm No.99 x,y,z; -x,-y,z; -x,y,z; x,-y,z; y,x,z; -y,-x,z; -y,x,z; y,-x,z; x 2y 3z x 2y 3z x 2y 3z x 2 y 3z e + + + e! ! + + e! + + + e ! + 7.2.5 2x+ y+3z !2x! y+3z !2x+ y+ 3z 2x! y+3z 10 + e + e + e + e = 10 The name is ditetragonal pyramid(Shub 5) and shown in figure 7.2.5. Figure 7.2.5a Ditetragonal pyramid. b Different projection. P 4 m2 No.115 x,y,z; -x,-y,z; -x,y,z; x,-y,z; -y,x,-z; y,-x,-z; y,x,-z; -y,-x,-z; x 2y 3z x 2y 3z x 2y 3z x 2 y 3z e + + + e! ! + + e! + + + e ! + 7.2.6 !2x+ y! 3z 2x! y!3z 2x+ y!3z !2x ! y!3z 10 + e + e + e + e = 10 The name is tetragonal scalenohedron (Shub 33) shown in figure 7.2.6. Figure 7.2.6a Tetragonal scalenohedron b Different projection. 8 There is a second mineral form to this symmetry called the tetragonal disphenoid with only four faces so we use the special position in 4j. We arrive at the equation in 2x+ z !2x +z 2y! z !2y !z 10 e + e + e + e = 10 and we see the disphenoid in figure 7.2.6c. The only difference from the tetragonal tetrahedron in P 4 above is its orientation. That give it mirror planes parallel to the axes in the co-ordinate system chosen. Figure 7.2.6c Disphenoid. P4/mmm No.123 x,y,z; -x,-y,z; x,y,-z; -x,-y,-z; -x,y,z; x,-y,z; -x,y,-z; x,-y,-z; -y,x,z; y,-x,z; -y,x,-z; y,-x,-z; y,x,z; -y,-x,z; y,x,-z; -y,-x,-z; ex+ 2y+3z + e!x! 2y+3z + ex+ 2y! 3z + e!x!2 y! 3z x 2 y 3z x 2 y 3z x 2 y 3z x 2y 3z +e! + + + e ! + + e! + ! + e ! ! 7.2.7 +e!2x+ y+ 3z + e2x! y+3z + e!2x+ y! 3z + e2x! y!3z 2x+ y+3z !2x! y+3z 2x+ y!3z !2x! y!3z 10 + e + e + e + e = 10 The name is ditetragonal bipyramid (Shub 12) and shown in figure 7.2.7.