For a given system:

1. Create CIF or XYZ file of your system (make sure that it is readable by Jmol)
2. Determine symmetry, asymmetric unit, and independent geometrical parameters in cartesian/lattice and internal coordinates
3. Determine structural type (common name, prototype, Strukturbericht, Pearson symbol etc.)
4. Explain the structure and bonding
5. Predict structure (explain predicted parameter values) and compare with the above created one
6. Discuss relevant structures or allotropes (same composition but different structure or same structure but different composition)
7. Describe electronic properties
8. Propose possible applications (relevant for this material)

Logistics: 1) provide your answer in written form (see sample1 and sample2); 2) discussion in person might be needed.

Molecules and molecular solids

• H2O, NH3, CH4
• C6H6, C2H6, C2H4, C4H4O, C4H4S, C4H5N
• SF6, cubic C8H8, Cr(CO)6, MnO4-
• N2, O2, Br2, P4, S8, C60, Kr

Crystals and surfaces

• Li, Mg, Al, In, Ga, Hg, Sm, Mn
• C-graphite, Si, Sn, As, Se
• GaAs, CdSe, ZnS
• NaCl, CsCl, AgI, CaF2, CdCl2, CdI2, TiSe2, NaSi6
• SiO2, Al2O3, LiTiO2, LiCoO2, In2O3, Cu2O, Fe2O3, Fe3O4, LiFePO4, LiMn2O4
• CaTiO3, BaTiO3, LiNbO3, ZrSiO4, MgAl2O4, CaWO4
• GeTe, NiAs, WC, FeS2, MoS2, CuFeS2
• Na4K2Si34

Low-dimensional materials

• graphene, MoS2
• poly-CH, poly-CH2