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Materials
Crystalline materials... atoms pack in periodic, 3D arrays typical of: -metals -many ceramics -some polymers
crystalline SiO2
Noncrystalline materials... atoms have no periodic packing occurs for: -complex structures -rapid cooling "Amorphous" = Noncrystalline
noncrystalline SiO2
SiO2 (amorphous)
Si (crystalline)
Crystal structures
Crystalline material: A material in which the atoms are situated in a repeating or periodic array over large atomic distances (i.e., long order exists). Upon solidification, atoms will position themselves in a repetitive 3D pattern, in which each atom is bonded to its nearest-neighbor atoms. Atomic hard sphere model is used to describe atoms. Lattice: A 3D array of points coinciding with atom positions (or sphere centers).
Space Lattice
UNIT CELL A unit cell is the smallest component of the crystal that reproduces the whole crystal when stacked together with purely translational repetition Primitive (P) unit cells contain only a single lattice point. Internal (I) unit cell contains an atom in the body center. Face (F) unit cell contains atoms in the all faces of the planes composing the unit cell. Centered (C) unit cell contains atoms centered on the sides of the unit cell
Crystals
crystal
primary building block: lattice: the unit cell set of points with identical environment
Crystals
Which is the unit cell?
Unit Cells
E
F
A two-dimensional lattice showing translation of a unit cell by r = 3a + 2b.
Unit Cells
Basis Vectors Unit Cell Primitive Unit Cell
= = = =
a,b
Lattice Vector
R=ha+kb+lc h,k,l are integers
A displacement of any lattice point by R will give a new position in the lattice that has the same positional appearance as the original position
Single species
A F G B C D
a b
A - G : Primitive unit cells All have same area All smallest unit cell All have 1 atom/cell a : Not a unit cell b :Unit cell not Primitive
Counting Lattice Points/Atoms in 2D Lattices Unit cell is Primitive (1 lattice point) but contains TWO atoms in the Motif Atoms at the corner of the 2D unit cell contribute only 1/4 to unit cell count Atoms at the edge of the 2D unit cell contribute only 1/2 to unit cell count Atoms within the 2D unit cell contribute 1 (i.e. uniquely) to that unit cell
Multi Species
3 D, Bravis Lattices
Each unit cell is such that the entire lattice can be
formed by displacing the unit cell by R with no gaps in the structure (close packed)
ie sctructures with 3, 4 and 6 fold symmetry can be close packed. 5-fold (ie pentangles) cannot
14 Bravais Lattices
14 Bravais Lattices
Cubic Lattices
BCC and FCC are not primitive. bcc has 4 atoms/cell, fcc has 8 atoms/cell fcc has closest packing, then bcc then sc (for cubic) (fcc and bcc more common than sc). Primitive have 1 atom/cell, Both are Rhombohedral (Trigonal) (McKelvey p10)
Crystal Structures
Types of crystal structures
Face centered cubic (FCC) Body centered cubic (BCC) Hexagonal close packed (HCP)
Counting Atoms in 3D Cells Atoms in different positions are shared by differing numbers of unit cells Vertex atom shared by 8 cells => 1/8 atom per cell Edge atom shared by 4 cells => 1/4 atom per cell Face atom shared by 2 cells => 1/2 atom per cell Body unique to 1 cell => 1 atom per cell
Triclinic Monoclinic
Density Atomic radius (g/cm 3 ) (nm) 0.143 2.71 ----------0.217 3.5 0.114 1.85 -----2.34 ----------0.149 8.65 0.197 1.55 0.071 2.25 0.265 1.87 ----------0.125 7.19 0.125 8.9 0.128 8.94 ----------0.122 5.90 0.122 5.32 0.144 19.32 ---------------------
Manganese
1000K
Lecture 1
1370K 1410K
Graphite:
3.4
1.4
Graphite 3 out of the 4 electrons provide the bonding in in the hexagonal array The 4th electron is free to conduct
Diamond:
diamond
graphite
NaCl (B1)