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{
"metadata": {
"name": "",
"signature": "sha256:7f366d2ca1671042b1f87ae7b598f1c0353e6f5b6feadb85488043da7746af76"
},
"nbformat": 3,
"nbformat_minor": 0,
"worksheets": [
{
"cells": [
{
"cell_type": "heading",
"level": 1,
"metadata": {},
"source": [
"13: Crystal Structure"
]
},
{
"cell_type": "heading",
"level": 2,
"metadata": {},
"source": [
"Example number 13.2, Page number 20"
]
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"rho=9.6*10**2; #density of Na(kg/m**3)\n",
"aw=23; #atomic weight\n",
"n=2; #number of atoms in a unit cell\n",
"N=6.022*10**26;\n",
"\n",
"#Calculation\n",
"a3=n*aw/(N*rho);\n",
"a=a3**(1/3); #lattice constant of Na(m)\n",
"\n",
"#Result\n",
"print \"lattice constant of Na is\",round(a*10**10,1),\"angstrom\""
],
"language": "python",
"metadata": {},
"outputs": [
{
"output_type": "stream",
"stream": "stdout",
"text": [
"lattice constant of Na is 4.3 angstrom\n"
]
}
],
"prompt_number": 3
},
{
"cell_type": "heading",
"level": 2,
"metadata": {},
"source": [
"Example number 13.3, Page number 20"
]
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"rho=4*10**3; #density of CsCl(kg/m**3)\n",
"aw1=132.9; #atomic weight of Cs\n",
"aw2=35.5; #atomic weight of Cl\n",
"a=4.12*10**-10; #lattice constant(m)\n",
"n=1; #number of atoms in a unit cell\n",
"\n",
"#Calculation\n",
"m=rho*(a**3); #mass of CsCl unit cell(kg)\n",
"N=n*(aw1+aw2)/m; #avagadro constant(per kg mole)\n",
"\n",
"#Result\n",
"print \"avagadro constant is\",round(N/10**26,4),\"*10**26 per kg mole\""
],
"language": "python",
"metadata": {},
"outputs": [
{
"output_type": "stream",
"stream": "stdout",
"text": [
"avagadro constant is 6.0199 *10**26 per kg mole\n"
]
}
],
"prompt_number": 5
},
{
"cell_type": "heading",
"level": 2,
"metadata": {},
"source": [
"Example number 13.8, Page number 24"
]
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"a=4.12*10**-10; #lattice constant(m)\n",
"h1=1;\n",
"k1=1;\n",
"l1=1; #for (111) plane\n",
"h2=1;\n",
"k2=1;\n",
"l2=2; #for (112) plane\n",
"h3=1;\n",
"k3=2;\n",
"l3=3; #for (123) plane\n",
"\n",
"#Calculation\n",
"d111=a/math.sqrt(h1**2+k1**2+l1**2); #lattice spacing for plane (111)(m)\n",
"d112=a/math.sqrt(h2**2+k2**2+l2**2); #lattice spacing for plane (112)(m)\n",
"d123=a/math.sqrt(h3**2+k3**2+l3**2); #lattice spacing for plane (123)(m)\n",
"\n",
"#Result\n",
"print \"lattice spacing for plane (111) is\",round(d111*10**10,4),\"*10**-10 m\"\n",
"print \"lattice spacing for plane (112) is\",round(d112*10**10,3),\"*10**-10 m\"\n",
"print \"lattice spacing for plane (123) is\",round(d123*10**10,4),\"*10**-10 m\""
],
"language": "python",
"metadata": {},
"outputs": [
{
"output_type": "stream",
"stream": "stdout",
"text": [
"lattice spacing for plane (111) is 2.3787 *10**-10 m\n",
"lattice spacing for plane (112) is 1.682 *10**-10 m\n",
"lattice spacing for plane (123) is 1.1011 *10**-10 m\n"
]
}
],
"prompt_number": 7
},
{
"cell_type": "heading",
"level": 2,
"metadata": {},
"source": [
"Example number 13.9, Page number 24"
]
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"a=1; #assume\n",
"h1=1;\n",
"k1=0;\n",
"l1=0; #for (100) plane\n",
"h2=1;\n",
"k2=1;\n",
"l2=0; #for (110) plane\n",
"h3=1;\n",
"k3=1;\n",
"l3=1; #for (111) plane\n",
"\n",
"#Calculation\n",
"d100=a/math.sqrt(h1**2+k1**2+l1**2); #lattice spacing for plane (100)\n",
"d110=a/math.sqrt(h2**2+k2**2+l2**2); #lattice spacing for plane (110)\n",
"d111=a/math.sqrt(h3**2+k3**2+l3**2); #lattice spacing for plane (111)\n",
"\n",
"#Result\n",
"print \"ratio of lattice spacing is d100:d110:d111=\",d100,\":\",round(d110,2),\":\",round(d111,2)"
],
"language": "python",
"metadata": {},
"outputs": [
{
"output_type": "stream",
"stream": "stdout",
"text": [
"ratio of lattice spacing is d100:d110:d111= 1.0 : 0.71 : 0.58\n"
]
}
],
"prompt_number": 9
}
],
"metadata": {}
}
]
}
|
