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Atomic structure

geometrical atomic arrangement and also the interaction between atoms or molecules Each atom consist of nucleus composed of protons and neutrons which is encircled by moving electrons. The top most orbital electrons, valance electrons affect most material properties that are of interest to engineer. E.g. chemical properties, nature of bonding size of an atom Both proton and electron are electrically charged with magnitude of 1.6*10^-19 C. Masses are infinitesimally small Mp & Mn =~ 1.67*10^-27Kg it is also called AMU(atomic mass unit) Me=~ 9.11*10^-31Kg Atomic Number(Z)_ Number of protons in the nucleus for electrically neutral atom the atomic number can also be equal to number of electrons. 1<= atomic number <=92 1== hydrogen 92==uranium

Important properties of the solid material depend on the

Atomic mass(A)_.
It Is the sum of masses of proton and neutron inside the

nucleus Atomic mass is always measured in atomic mass unit(amu) A=~Z+N

Atomic bonding in solids what makes atom to cluster together.? How atoms are arranged.? Inter atomic bonds Primary bonds Secondary bonds Primary bonds
they are relatively stronger &exists in almost all solids

Ionic Covalant Metallic

Secondary bonds Relatively weaker bonds. Exists in many substances like water along with primary bonds Van der walls Hydrogen

Metallic Bonds
Metals are characterized by high thermal and electrical conductivities.
This bond comes into picture when a valance electrons are shared

between number of atoms. Unlike covalent bond shared electrons are not specific pair of atoms i.e. electrons are delocalized Since the shared electrons are delocalized the metallic bonds are non directional High thermal and electrical conductivity is the result of this delocalization.

Covalent bond
This bond comes into existence if valence electrons are shared

between a pair of atoms, thus acquire stability by saturating the valence configuration. Covalent bonds are stereospecific i.e. each bond is between a specific pair of atoms, which share a pair of electrons Covalent bonds are very strong and directional in nature The diamond is the result of covalent bond where the carbon atom is covalently bonded with 4 neighbor atoms and each neighbor atom is bonded with equal number of atoms to form a rigid structure Red= electron from hydrogen blue= electron from carbon

Ionic Bonds Exists between 2 atoms when 1 is +ve and other is ve charged. +ve charged==loss of electron -ve charged==extra electron Strong direct attraction They are non directional in nature E.g. NaCl Na is +ve and Cl is ve They are the strongest bonds Usually exists in material along with the covalant bond

Secondary bonds
Van der waals bond
Origin is quantum mechanical in nature & mainly due to the dipole

moment of atoms or molecules Usually atoms are neutral and hence no dipole moment Polarized atoms experience the van der waal forces Weak in nature E.g. carbon tetrocloride

Hydrogen bond
Exists between the atoms/molecules having permanent dipole moment E.g. Water e- in oxygen tens to concentrate away from hydrogen so the resulting charge

difference between molecule allows the bonding of water molecule. More strong than vander waal forces Important for life

Crystal
It is a material which constitute atoms,molecules, or ions which are

arranged in orderly pattern extending in all 3 dimensions

Structures which are not crystalline are called as amorphous

structures.

Crystal structure Arrangement of crystals in specific order/pattern to form a 3D structure is called as crystal structure. To analyze arrangement of atom we use 2 basic technique
Lattice and basis concept Unit cell

ASSUMPTION_ atoms as a hard sphere with fix radius

Lattice and basis lattice_ its an arrangement of points such that surroundings of
each point in the lattice are identical Types_ 1D 2D 3D Basis_ group of 1 or more atoms located in particular way with respect to each other and associated with each lattice point is known as basis.

Crystal structure
Atoms of basis placed on lattice point.

Possible ways of arranging point in lattice structure


1D__ only 1 way 1 1D lattice
2D__ 5 ways 5 2D lattice structures 3D__ 14 ways 14 3D lattice structures

To arrange a point in such a way that so as to have the same surrounding Known as Bravias lattices These 14 structures are grouped into 7 crystal systems
Cubic_____________________ cube Tetragonal_________________ square prism

Orthorhombic______________ rectangular prism


Hexagonal_________________ 120 degree rhombic prism Trigonal___________________ parallelepiped Monoclinic_________________ parallogramic prism Triclinic____________________ parallelepiped

Based on the lattice point in the unit cell we have 4

types of Bravais lattice


Simple cubic, Face centered, Body centered , Base centered

Atoms are arranged at the corner of the cube.

Face centered_
atoms are arranged at the corner and at the each face of the cube.

Body centered_ Atoms are arranged at each corner and at the center of the cube

Base centered_ Atoms are arranged at each corner of the cube and 1 atom on each top and bottom plane of hexagon.

Sr.No.

Crystal system

shape

Bravais lattice SC FC Y BC Y Y Y Y Y Base C.

1 2 3 4

cubic Tetragonal

Cube Square prism

Y Y Y Y

Orthorhombic Rect. Prism Hexagonal 120 degree rhombic prism

5 6

Trigonal Monoclinic

Parallelepiped Parallogramic prism parallelepiped

Y Y Y

Triclinic

https://www.eeducation.psu.edu/matse201/node/8

Unit cell
Main aim was to analyze the structure of the atom and to develop the

notion to model the crystalline solid structures Unit cell concept is different from lattice and basis but the end result is Representation of Crystal Structure_

Definition_ Single unit which when duplicated and translated, reproduces the entire crystal structure is called as unit cell. E.g 2D crystal Rubiks cube

Concept of unit cell and 2D structure In 2D structure we have (1/4) atom per corner With 4 corners (1/4)*4=1 unit atom per unit cell In 3D structure we have 8 corners and (1/8) atom at each corner For simple cubic structure_

Base

Upper layer

For body centered cubic structure

For face centered cubic structure

Miller Indices_
Introduced by British mineralogist Willam mille in 1839.
They are defined w.r.t. any unit cell Any crystal consist of an infinite planes seperated by perticular

distance a

Miller indices are nothing but the numbers used to designate the palne

in a crystal As well as it gives the direction of the plane

Procedure to find miller indices


Consider a right handed co-ordinate system Determine the co-ordinates that lie on the required direction Subtract the co-ordinates of tail point from the head point to

obtained the number of lattice parameters traveled in that particular direction Clear fractions Enclose the number in square bracket [] If negative sign is produced then represent negative sign with bar over the number. E.g