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Christy De Meyer
| Symbol | No. | Frequency |
|---|---|---|
| P222 | 16 | 18 |
| P2221 | 17 | 39 |
| P21212 | 18 | 847 |
| P212121 | 19 | 16256 |
In a diffraction experiment, the intensity of reciprocal lattice points is measured. Friedel's law states that the intensity of X-ray reflection from the planes (hkl) is the same as that from (-h-k-l) (In absence of anomalous dispersion effects). So the point group symmetry of the reciprocal lattice is centrosymmetric. There are eleven centrosymmetric point groups and these are known as the Laue Classes.
| Crystal System | Laue Classes | |
|---|---|---|
| Triclinic | -1 | |
| Monoclinic | 2/m | |
| Orthorhombic | mmm | |
| Tetragonal | 4/m | 4/mmm |
| Trigonal | -3 | -3m |
| Hexagonal | 6/m | 6/mmm |
| Cubic | m-3 | m-3m |
In single crystal diffraction, it is possible to measure the intensity of the individual reflections,
I(hkl). The point symmetry of the origin in reciprocal space is related to
the symmetry of the diffracting crystal, thus in determining the crystal symmetry,
the determination of its point group symmetry (one of the Laue Classes) is the first step.
In powder diffraction generates only 1-dimensional data and therefore it is impossible to determine
the laue class directly.
two examples: 2/m (monoclinic) and 6/mmm (hexagonal)
5 Marks
An enantiomorphic molecule cannot posses improper rotations.
Improper rotations are -1, m, -3, -4, -6. For example:
When having an enantiomorphic molecule, like D-glucose, its mirror image will not be identical.
In this case, the mirror image is L-glucose.
So, symmetry operations that cannot be found in the crystal structure of an enantiomorphic molecule
are rotary inversions and mirror/glide planes because they will change the handedness of the molecule
(i.e. right handed versus left handed). Thus space groups possessing these operations cannot be enantiomorphic
The change in handedness is indicated by placing a comma (,)
in the open circle in the space group diagram.
5 Marks
| symmetry element | symmetry operation | coordinates for Co | coordinate for Co within the unit cell (via translations) |
|---|---|---|---|
| 1 | x,y,z | 0.271,0.250,0.458 | 0.271,0.250,0.458 |
| i | -x,-y,-z | -0.271,-0.250,-0.458 | 0.729,0.750,0.542 |
| 21 | -x,1/2+y,1/2-z | -0.271,0.750,0.042 | 0.729,0.750,0.042 |
| c | x,1/2-y,1/2+z | 0.271,0.250,0.958 | 0.271,0..250,0.958 |
Co is not sited on a special position. Co would have been sited on a special position if it was located on one of the point group symmetry elements of the space group. In that case, the symmetry operators of the space group wouldn't generate 4 symmetry equivalent Co-atoms within the unit cell but less than 4.
The symmetry elements present in 1,2-dichloroethane are: m, i and 2
(a mirror plane passing through the two C-atoms and the two Cl-atoms,
an inversion point in the centre of the bound between the two C-atoms and
a twofold axis perpendicular to the mirror plane and passing through the inversion point.)
Via the diagram for point group determination
I arrive at the crystallographic point group 2/m.
5 Marks
| symmetry element | position |
| 1 | object in red |
| 2 | K |
| m | Z |
| a | J |
| position | handedness | reason |
| object in red | original | |
| K | original | a twofold rotation doesn't change handedness |
| Z | changed | the used symmetry operator is a mirror plane This is an improper rotation (-2) |
| J | changed | The used symmetry operator is a glide plane consisting of a reflection through a mirror plane (= improper rotation) followed by a translation |
| Space group | Symmetry operators | Symmetry elements | Symmetry operators | Symmetry elements | Crystal class |
|---|---|---|---|---|---|
| Pma2 | x,y,z | 1 | x,y,z | 1 | mm2 |
| -x,-y,z | 2 | -x,-y,z | 2 | ||
| 1/2-x,y,z | m | -x,y,z | m | ||
| 1/2+x,-y,z | a | x,-y,z | m |
Comment: Lovely answer (which is correct for
the crystal class), but strictly speaking you were asked
for the crystal system, and not crystal class.
Minor point re HTML above. The ALIGN=LEFT qualifier in the TABLE tag is in the
wrong place: it can be used to qualify the TR, TH, or TD tags. LEFT is the
default except for TH which uses CENTER as the default.
1 Mark