8晶体化学探析.ppt

原子结构和周期表;晶体化学 是研究单质或化合物中离子、分子或原子在晶体内的分布规律，并从而阐明化学成分与晶体结构以及与晶体的物理性质、化学性质之间关系的分支学科;原子结构;原子能级;原子能级;原子能级;原子的电子构型;原子轨道轮廓;p 轨道电子云 2 p orbitals;d 轨道电子云（dorbitals）;The Periodic Table;;Elements are classified as: 按纵行分为9个族: 除零族(惰性气体)和VIII族外，I至VII族又分主(A)和副(B)族 最外层电子数: IA为1(ns1); VIIA为7(ns2 np5); IB(铜族)和IIB(锌族) 最外层电子数分别为1和2; IIIB至VIIB的族号等于最外层s电子数加上次外层d电子数; VIII族和零族另当别论。 ;Atomic and Ionic Radii原子和离子半径;Atomic and Ionic Radii;元素的原子半径和共价半径 ;Atomic and Ionic Radii;二、球体的最紧密堆积;1、等大球体的最紧密堆积;等大球的最紧密堆积;2;Add 3rd layer ? Third layer dimples are now different! Layer 1 = A sites Layer 2 = B sites Layer 3 can now occupy A-type site (directly above yellow atoms) or C-type site (above voids in both A and B layers) ; ;Add 3rd layer (yellow) If occupy A-type site the layer ordering becomes ABAB… and creates a hexagonal closest packed structure (hcp) Coordination number (nearest or touching neighbors) = 12 6coplanar 3 above the plane 3 below the plane;Add 3rd layer (yellow) If occupy A-type site the layer ordering becomes ABAB… and creates a hexagonal closest packed structure (hcp) Coordination number (nearest or touching neighbors) = 12 6 coplanar 3 above the plane 3 below the plane;Add 3rd layer (yellow) If occupy A-type site the layer ordering becomes ABAB… and creates a hexagonal closest packed structure (hcp) Coordination number (nearest or touching neighbors) = 12 6 coplanar 3 above the plane 3 below the plane;Add 3rd layer (yellow) If occupy A-type site the layer ordering becomes ABAB… and creates a hexagonal closest packed structure (hcp) Note top layer atoms are directly above bottom layer atoms;Add 3rd layer (yellow) Unit cell ;Add 3rd layer (yellow) Unit cell ;Add 3rd layer (yellow) Unit cell ;Add 3rd layer (yellow) View from top shows hexagonal unit cell ;Add 3rd layer (yellow) View from top shows hexagonal unit cell, with symmetry symbols (3-fold) ;Alternatively, we could place the third layer in the C-type site (above voids in both A and B layers) ;Third