无机固体材料的结构-无机功能纳米材料化学.pptVIP

无机功能纳米材料化学Chemistry of Functional Inorganic Materials（2） 1. The unit cell “The smallest repeat unit of a crystal structure, in 3D, which shows the full symmetry of the structure” ? Seven unit cell shapes Cubic a=b=c ?=?=?=90° Tetragonal a=b?c ?=?=?=90° Orthorhombic a?b?c ?=?=?=90° Monoclinic a?b?c ?=?=90°, ? ? 90° Triclinic a?b?c ? ?? ?? ? 90° Hexagonal a=b?c ?=?=90°, ?=120° Rhombohedral a=b=c ?=?=??90° Symmetry in 3-d Essential Symmetry 2. Primitive and Centred Lattices Fcc: Lattice type F Cu, Ag, Au, Al, Ni... Exercise Lattice Planes Imagine representing a crystal structure on a grid (lattice) which is a 3D array of points (lattice points). Can imagine dividing the grid into sets of “planes” in different orientations All planes in a set are identical The planes are “imaginary” The perpendicular distance between pairs of adjacent planes is the d-spacing Need to label planes to be able to identify them Plane perpendicular to y cuts at ?, 1, ? ? (0 1 0) plane Planes - conclusions Miller indices define the orientation of the plane within the unit cell The Miller Index defines a set of planes parallel to one another (remember the unit cell is a subset of the “infinite” crystal (002) planes are parallel to (001) planes, and so on 5. d-spacing formula Octahedral Sites Tetrahedral sites Relation of a tetrahedron to a cube: So 8 tetrahedral sites in a fcc Octahedral: half cell edge, a/2 Tetrahedral: quarter of body diagonal, 1/4 of a?3 Anion-anion: half face diagonal, 1/2 of a?2 Inorganic Crystal Structure Database ICSD: ICSD Software: Materials Studio Diamond Crystal Studio Mercury ……… Homework *data for ICSD #6296 Chem Name Magnesium Aluminium Hydroxide Carbonate * Structured ((Mg4 Al2) (O H)12 CO3 (H2 O)3)0.5 Min Name Hydrotalcite Unit Cell 3.054(3) 3.054(3) 22.81(2) 90. 90. 120. Vol 184.24 Z 1 Space Group R -3 m H SG Number 166 Cryst Sys trigonal/rhombohedral ……… Section 2. X-ray Diffraction Result for OPTIC