Page 60 - Microsoft PowerPoint - lecture1.ppt
P. 60

2.4 More complex structures


                 Oxides: ReO                        3








                    Crystal data

                    Formula sum                                ReO    3

                    Crystal system                             cubic

                    Space group                                P m -3 m (no. 221)
                    Unit cell dimensions                       a = 3.7504(1) Å

                    Z             1



                    Atomic coordinates




                    Atom          Ox.           Wyck.          x             y              z
                    Re1           +6            1a             0             0              0                           Unit cell

                    O1            -2            3d             1/2           0              0





                                        Structural features:tructural features:
                                        S
                                        • no close packing (CN (O,O) = 8)

                                        • ReO octahedra connected by six common corners
                                                  6
                                        • large cavity in the center of the unit cell
                                        • filled phase (A WO tungsten bronze)
                                                                          3
                                                                   x
   55   56   57   58   59   60   61   62   63   64   65