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Unit cell
The smallest repeating structural unit of a crystal lattice.
Lattice parameter a
The edge length (side length) of a cubic unit cell.
Number of atoms in a simple cubic (SC) unit cell
1 atom per unit cell
Number of atoms in a body-centered cubic (BCC) unit cell
2 atoms per unit cell
Number of atoms in a face-centered cubic (FCC) unit cell
4 atoms per unit cell
Number of atoms in a conventional hexagonal close-packed (HCP) unit cell
6 atoms per conventional unit cell
Atom contact direction in simple cubic (SC)
Along the cube edge.
Atom contact direction in body-centered cubic (BCC)
Along the body diagonal.
Atom contact direction in face-centered cubic (FCC)
Along the face diagonal.
Relationship between a and R in simple cubic (SC)
a=2R
Relationship between a and R in BCC
a=34R
Relationship between a and R in FCC
a=22R
Formula to find R from a for BCC
R=4a3
Formula to find R from a for FCC
$$R = \frac{a}{2\sqrt{2}}$Metric
Atomic packing factor (APF) of simple cubic (SC)
0.52
Atomic packing factor (APF) of BCC
0.68
Atomic packing factor (APF) of FCC
0.74
Atomic packing factor (APF) of HCP
0.74
APF abbreviation
Atomic Packing Factor
Physical quantity measured by APF
The fraction of the unit-cell volume occupied by atoms.
General APF formula
APF=total unit-cell volumevolume occupied by atoms
Volume of a cubic unit cell (Vc)
Vc=a3
Theoretical density equation (ρ)
ρ=VcNAnA
Meaning of n in the theoretical density equation
Number of atoms per unit cell.
Meaning of A in the theoretical density equation
Atomic weight (molar mass), usually expressed in gmol−1.
Meaning of Vc in the theoretical density equation
Volume of the unit cell.
Avogadro's number (NA)
NA=6.022×1023atomsmol−1
Calculation path from atomic radius R to theoretical density (ρ)
R→a→a3→ρ
Calculation path from theoretical density (ρ) to atomic radius R
ρ→a3→a→R
Formula for a3 rearranged from the theoretical density equation
a3=ρNAnA
Conversion factor from nm to cm
1nm=10−7cm
Conversion factor from cm to nm
1cm=107nm
Cation
A positively charged ion formed when an atom loses electrons.
Anion
A negatively charged ion formed when an atom gains electrons.
Typical ionic charge of Group 1 elements
+1
Typical ionic charge of Group 2 elements
+2
Typical ionic charge of Group 13 elements
+3
Typical ionic charge of Group 15 elements
−3
Typical ionic charge of Group 16 elements
−2
Typical ionic charge of Group 17 elements
−1
Typical ionic charge of Group 18 elements
0
Electron change during cation formation
Electrons are lost.
Electron change during anion formation
Electrons are gained.
Electron configuration of argon (Ar)
1s22s22p63s23p6
Electron configuration of K+
1s22s22p63s23p6=[Ar]
Electron configuration of Cl−
1s22s22p63s23p6=[Ar]
Reason K+ and Cl− share the same electron configuration
Both species have 18 electrons and are isoelectronic with argon (Ar).
Ionic bonding
Electrostatic attraction between oppositely charged ions.
Covalent bonding
Bonding in which atoms share pairs of electrons.
Metallic bonding
Positive ion cores held together by delocalized valence electrons.
Equilibrium spacing (r0)
The interatomic distance where attractive and repulsive forces balance.
Net force at equilibrium spacing (r0)
0 (zero).
Status of individual attractive and repulsive forces at r0
They are non-zero; they are equal in magnitude and opposite in direction.
Significance of a deeper interatomic potential-energy well
Stronger bonding and greater bond energy.
Vacancy defect
A normally occupied lattice site that is missing an atom.
Vacancy equation
Nv=Nexp(−kTQv)
Meaning of Nv in the vacancy equation
Number of vacancies per unit volume.
Meaning of N in the vacancy equation
Number of atomic sites per unit volume.
Meaning of Qv in the vacancy equation
Energy required to form one vacancy.
Meaning of k in the vacancy equation
Boltzmann's constant.
Temperature scale required for the vacancy equation
Kelvin (K).
Formula to convert Celsius to Kelvin
T(K)=T(∘C)+273
Value of Boltzmann's constant k when Qv is in eV/atom
k=8.617×10−5eV/(atom⋅K)
Formula for atomic sites per unit volume (N)
N=AρNA
Effect of increasing temperature on vacancy concentration
Vacancy concentration increases exponentially.
Substitutional impurity
An impurity atom that replaces a host atom at a regular lattice site.
Interstitial impurity
A small impurity atom that occupies a space between host atoms.
Weight percent (wt%) formula
wt%=(total mass of alloymass of component)×100%
Convenient assumed sample size for wt% problems
100g of alloy
Masses in a 100g sample of 15wt%Ge and 85wt%Si
15gGe and 85gSi
Formula to calculate volume from mass and density
V=ρm
Formula to convert grams of an element to moles
$$\text{moles} = \frac{\text{mass}}{\text{atomic weight}}$Metric
Formula to convert moles to number of atoms
atoms=moles×6.022×1023
Octahedral interstitial site
An interstitial site coordinated by 6 neighboring atoms.
Tetrahedral interstitial site
An interstitial site coordinated by 4 neighboring atoms.