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    Matlab Programme For Calculating HKL Values: All All 'Enter The Factor' 'Enter The Values of 2 Theta'

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    kishorkumarn8212
    The MATLAB program calculates HKL values from X-ray diffraction data. It takes in factors, lambda value, and 2theta values as inputs. It then calculates theta, sine of theta, a1, a, d-squared and d values. It identifies unique a2 values and finds the corresponding HKL combinations that satisfy the Miller indices equation. Sample runs on data for NaCl, KCl and CUSO4 are shown, outputting the calculated d-spacing and identified HKL values.

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    Matlab Programme For Calculating HKL Values: All All 'Enter The Factor' 'Enter The Values of 2 Theta'

    Uploaded by

    kishorkumarn8212
    25 views6 pages
    The MATLAB program calculates HKL values from X-ray diffraction data. It takes in factors, lambda value, and 2theta values as inputs. It then calculates theta, sine of theta, a1, a, d-squared and d values. It identifies unique a2 values and finds the corresponding HKL combinations that satisfy the Miller indices equation. Sample runs on data for NaCl, KCl and CUSO4 are shown, outputting the calculated d-spacing and identified HKL values.

    Original Title

    Enter the Factor 4

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    © Attribution Non-Commercial (BY-NC)

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    The MATLAB program calculates HKL values from X-ray diffraction data. It takes in factors, lambda value, and 2theta values as inputs. It then calculates theta, sine of theta, a1, a, d-squared and d values. It identifies unique a2 values and finds the corresponding HKL combinations that satisfy the Miller indices equation. Sample runs on data for NaCl, KCl and CUSO4 are shown, outputting the calculated d-spacing and identified HKL values.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as DOCX, PDF, TXT or read online from Scribd
    Download as docx, pdf, or txt
    25 views6 pages

    Matlab Programme For Calculating HKL Values: All All 'Enter The Factor' 'Enter The Values of 2 Theta'

    Uploaded by

    kishorkumarn8212
    The MATLAB program calculates HKL values from X-ray diffraction data. It takes in factors, lambda value, and 2theta values as inputs. It then calculates theta, sine of theta, a1, a, d-squared and d values. It identifies unique a2 values and finds the corresponding HKL combinations that satisfy the Miller indices equation. Sample runs on data for NaCl, KCl and CUSO4 are shown, outputting the calculated d-spacing and identified HKL values.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as DOCX, PDF, TXT or read online from Scribd
    Download as docx, pdf, or txt
    of 6

    MATLAB PROGRAMME FOR CALCULATING HKL VALUES

    clc;
    close all;
    clear all;
    factor=input('enter the factor');
    lamda=1.54;
    two_theta=input('enter the values of 2*theta');
    theta=two_theta/2
    sintheta=sin(theta*pi/180)
    a1=power(sintheta,2)
    min=min(a1);
    a=factor*a1/min
    d_sqr=a*power(lamda,2)./(4*a1)
    avg=mean(d_sqr);
    d=sqrt(avg);
    display(d);
    a2=uint8(a)
    k=1;count=0;
    [n,m]=size(a2);
    temp=zeros(size(a2));
    for i=1:m
    count=0;
    for j=1:k
    if(a2(i)==temp(j));
    count=1;
    end
    end
    if(count==0)
    temp(k)=a2(i);
    k=k+1;
    end
    end
    display(temp)
    [p,q]=size(temp);

    for i=1:q
    srt=uint8(sqrt(temp(i)));
    N=temp(i);
    display(N);
    for h=0:srt
    for k=0:srt
    for l=0:srt
    if(temp(i)==power(h,2)+power(k,2)+power(l,2))
    display(h)
    display(k)
    display(l)
    end
    end
    end
    end

    NACL-OUTPUT FROM MATLAB


    Enter the factor 4
    Enter the values of 2*theta [27.54 27.7 31.64 31.9 32.08 45.34 45.42 45.62 53.98 56.4 56.6 ]
    Theta =
    13.7700 13.8500 15.8200 15.9500 16.0400 22.6700 22.7100 22.8100 26.9900 28.2000
    28.3000
    Sintheta =
    0.2380 0.2394 0.2726 0.2748 0.2763 0.3854 0.3861 0.3877 0.4538 0.4726 0.4741
    A1 =
    0.0567 0.0573 0.0743 0.0755 0.0763 0.1486 0.1490 0.1503 0.2060 0.2233 0.2248
    A=
    4.0000 4.0457 5.2471 5.3314 5.3902 10.4879 10.5230 10.6109 14.5416 15.7657 15.8684

    D_sqr =
    41.8597 41.8597 41.8597 41.8597 41.8597 41.8597 41.8597 41.8597 41.8597 41.8597
    41.8597
    D = 6.4699
    A2 = 4

    4 5 5 5 10 11 11 15 16 16

    Temp = 4

    5 10 11 15 16

    HKL Values
    N=4
    h= 0k= 0l=2
    h= 0k=2l=0
    h=2k=0l=0

    N=5
    h=0k=1l=2
    h=0k=2l=1
    h =1 k = 0 l = 2
    h = 1 k = 2 l =0
    h = 2 k = 0 l =1
    h = 2 k = 1l =0

    N=10
    h = 0 k = 1 l =3
    h =0 k = 3 l =1
    h=1k=0l=3
    h=1k=3l=0
    h=3k=0l=1
    h = 3 k = 1 l =0
    h=1k=3l=0
    h=3k=0l=1
    h = 3 k = 1 l =0

    N=11
    h = 1 k =1 l =3
    h =1 k =3 l = 1
    h =3 k =1 l = 1

    N=16
    h = 0 k =0 l =4
    h = 0 k =4l = 0
    h = 4 k =0 l = 0

    KCL-OUTPUT FROM MATLAB


    Enter the factor 4
    Enter the values of 2*theta
    [ 44.42 ,44.84 ,45.86 ,45.98 ,47.82 ,48 ,48.42 ,48.48 ,48.6 ,49.62 ,49.7 ,50.7 53.88 ,57.02 ,58.3 ,59.46 ]
    Theta =
    22.2100, 22.4200 ,22.9300, 22.9900, 23.910, 24.0000 ,24.2100 ,24.2400, 24.3000 ,24.8100,24.8500,
    25.3500 ,26.9400, 28.5100 ,29.1500, 29.7300

    sintheta =
    0.3780 ,0.3814, 0.3896, 0.3906 ,0.4053,0.4067,0.4101,0.4106,0.4115,0.4196 ,0.4202, 0.4281
    ,0.4531,0.4773,0.4871,0.4959
    a1 =
    0.1429 0.1455 0.1518 0.1525 0.1643 0.1654 0.1682 0.1686 0.1693 0.1761 0.1766 0.1833 0.2053 0.2278
    0.2373 0.2459
    a=
    4.0000 4.0721 4.2494 4.2704 4.5986 4.6312 4.7077 4.7187 4.7407 4.9291 4.9440 5.1316 5.7462
    6.3779 6.6421 6.884
    d_sqr =
    16.5979 16.5979 16.5979 16.5979 16.5979 16.5979 16.5979 16.5979 16.5979 16.5979 16.5979
    16.5979 16.5979 16.5979 16.5979 16.5979
    d = 4.0740
    a2 = 4 4 4 4 5 5 5 5 5 5 5 5 6 6 7 7
    temp = 4 5 6 0 0 0 0 0 0 0 0 0 0
    HKL Values
    N=4
    h= 0k= 0l=2
    h= 0k=2l=0
    h=2k=0l=0

    N= 5
    h= 0k=1 l=2
    h= 0k=2 l=1
    h=1 k=0 l=2
    h = 1 k = 2 l =0
    h = 2 k= 0 l =1
    h =2 k= 1 l = 0

    N=6
    h=1 k=1 l=2
    h=2 k=1 l=1
    h=1 k=2 l=1

    CUSO4 - OUTPUT FROM MATLAB


    Enter the factor 3
    Enter the values of 2*theta [ 26.34 28.14 28.76 28.88 29.1 29.36 29.5 29.54 31.34 32.46 34.78
    41.04 41.1 41.16 41.24 41.4 41.44 50.78 50.92 50.98 51.02 59.32 ]
    Theta =
    13.1700 14.0700 14.3800 14.4400 14.5700 14.6800 14.7500 14.7700 15.6700 16.2300 17.3900
    20.5200 20.5500 20.5800 20.6200 20.7000 20.7200 25.3900 25.4600 25.4900 25.5100 29.6600
    Sintheta =
    0.2278 0.2431 0.248 0.2494 0.2516 0.2534 0.2546 0.2549 0.2701 0.2795 0.2989 0.3505 0.3510
    0.3515 0.352 0.3535 0.3538 0.4288 0.4299 0.4304 0.4307 0.4949
    a1 =
    0.0519 0.0591 0.0617 0.0622 0.0633 0.0642 0.0648 0.0650 0.073 0.0781 0.0893 0.1229 0.1232
    0.1236 0.1240 0.1249 0.1252 0.1839 0.1848 0.1852 0.1855 0.2449
    a=
    3.0000 3.4155 3.5644 3.5936 3.6572 3.7114 3.7461 3.7561 4.215 4.5144 5.1622 7.1010 7.1209
    7.1408 7.1673 7.2206 7.2340 10.6248 10.6796 10.7031 10.7187 14.1517
    d_sqr =
    34.2640 34.2640 34.264 34.2640 34.2640 34.2640 34.2640 34.2640 34.2640 34.2640 34.2640
    34.2640 34.2640 34.2640 34.2640 34.2640 34.2640 34.2640 34.2640 34.264 34.2640 34.2640
    d = 5.8536
    a2 = 3 3 4 4 4 4 4 4 4 5 5 7 7 7 7 7 7 7 11 11 11 11 14
    temp = 3 4 5 7 11 14

    HKL Values
    N=3
    h= 1 k =1 l
    =1

    N=4
    h= 0k= 0l=
    2
    h= 0k=2l=
    0
    h=2k=0l=0

    N=5
    h=0k=1l=2
    h=0k=2l=1
    h =1 k = 0 l = 2
    h = 1 k = 2 l =0
    h = 2 k = 0 l =1
    h = 2 k = 1l =0

    N=11
    h = 1 k =1 l
    =3
    h =1 k =3 l =
    1
    h =3 k =1 l =
    1

    N=14
    h = 1 k =2 l =3
    h = 1 k =3l = 2
    h = 2 k =1 l = 3
    h = 2 k = 3 l= 1
    h= 3 k= 1 l= 2
    h = 3 k= 2 l= 1

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