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    Pengolahan Data XRD.2020.04.01

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    Zulfa Seff
    The document discusses the application of X-ray diffraction (XRD) methods for analyzing crystal structures and chemical compositions. It describes how XRD can be used to determine crystal structures, unit cell parameters, and identify unknown compounds. It also outlines sample preparation methods and the typical data obtained from XRD experiments, including diffraction patterns, text files of peak positions, and refined crystallographic parameters. The document provides examples of using reference databases to identify phases within samples based on their XRD patterns.

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    Pengolahan Data XRD.2020.04.01

    Uploaded by

    Zulfa Seff
    68 views14 pages
    The document discusses the application of X-ray diffraction (XRD) methods for analyzing crystal structures and chemical compositions. It describes how XRD can be used to determine crystal structures, unit cell parameters, and identify unknown compounds. It also outlines sample preparation methods and the typical data obtained from XRD experiments, including diffraction patterns, text files of peak positions, and refined crystallographic parameters. The document provides examples of using reference databases to identify phases within samples based on their XRD patterns.

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    Pengolahan data XRD.2020.04.01

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    The document discusses the application of X-ray diffraction (XRD) methods for analyzing crystal structures and chemical compositions. It describes how XRD can be used to determine crystal structures, unit cell parameters, and identify unknown compounds. It also outlines sample preparation methods and the typical data obtained from XRD experiments, including diffraction patterns, text files of peak positions, and refined crystallographic parameters. The document provides examples of using reference databases to identify phases within samples based on their XRD patterns.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    68 views14 pages

    Pengolahan Data XRD.2020.04.01

    Uploaded by

    Zulfa Seff
    The document discusses the application of X-ray diffraction (XRD) methods for analyzing crystal structures and chemical compositions. It describes how XRD can be used to determine crystal structures, unit cell parameters, and identify unknown compounds. It also outlines sample preparation methods and the typical data obtained from XRD experiments, including diffraction patterns, text files of peak positions, and refined crystallographic parameters. The document provides examples of using reference databases to identify phases within samples based on their XRD patterns.

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    © All Rights Reserved
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    of 14

    PENGOLAHAN DATA XRD

    APLIKASI METODE XRD


    1. Penentuan struktur kristal :
    1. Pengideks-an bidang kristal,
    2. Bentuk dan ukuran sel satuan kristal,
    3. Jumlah atom per-sel satuan
    2. Analisis kimia :
    1. Identifikasi/Penentuan jenis kristal
    2. Penentuan kemurnian hasil sintesis
    3. Deteksi senyawa baru
    4. Deteksi kerusakan oleh suatu perlakuan
    Jenis Sampel :
     Bentuk: serbuk, lembaran, plat
     Jenis: logam, oksida logam, polimer,
    mineral, seny.organik

    Perlakuan sampel:
    ◼ Sampel padatan dari alam (lempung, zeolit, dsb)
     Dibersihkan dari kerikil, ranting, daun, dsb
     Dikeringkan
     Dihaluskan: 10-250 mesh
     Dimasukkan ke dalam sample holder

    ◼ Sampel lembaran:
     Langsung dianalisis
    Data XRD

    ◼ Kondisi Pengukuran
     Nama alat dan Serinya
     Rentang 2 (5-100)
     Sumber radiasi (CuKa), celah (slit).
    ◼ Data Gambar
    ◼ Data Text (.txt)
    ◼ Data Olahan (parameter kristal, kisi, indeks)
    ◼ Data pembanding (JCPDS card or ICDD files)
    JCPDS= Joint Committee on Powder Diffraction Standard
    ICDD= The International Center for Diffraction Data
    X-Ray Diffraction Pattern
    z z z
    c c c

    y (110) y y
    a b a b a b
    Intensity (relative)

    x x x (211)

    (200)

    Diffraction angle 2

    Diffraction pattern for polycrystalline a-iron (BCC)


    DATA DIFRAKSI = POLA DIFRAKSI

    Intensitas

    Sudut difraksi 2 
    Data text ------> data Gambar dan parameter
    kristal

    ◼ Excel
    ◼ Origin----------→
    ◼ Igor-------------→
    ◼ Phasanx
    ◼ Retica
    ◼ Etc…
    Data Text
    FILEN kyousei12/Ni2Sn1400
    BLOCK 0
    FILES 0 0:RAW 1000:PEAK 3100:POLE-TRANS 3200:POLE-REFLECT
    SAMPL Ni2Sn1400
    MDATE 2011/01/25 18:37
    OPERT rodian
    GONIO 12
    ATACH 100 6:POLE
    TARGT Cu
    XWAVE 1.54056
    VOLTG 40 Kv
    CURNT 200 mA
    MODE1 1 1:Theta Scan 2:d* Scan 4:Mennai
    MODE2 1 1:CS 2:FT 3:FC
    MODE3 3 1:Repeat 2:Integ 3:Normal
    SAXIS 1 1:2Theta/Theta 2:2Theta 3:Theta
    START 5.020 deg
    STOPA 80.000 deg
    STEPW 0.020 deg
    SPEED 4.000 deg
    CTIME 1.00 sec
    CUNIT 1
    DSLIT 1.00 deg
    SSLIT 1.00 deg
    RSLIT 0.30 mm
    DATAN 3750
    MAXCN 14156
    HIGHV 780
    BASEL 1.16
    WINDW 1.90
    XGSHU 3 1:3Kw 2:18Kw
    POS2T 0.000
    DTSRT
    5.020 1136
    5.040 1123
    5.060 1220
    5.080 1193
    5.100 1130
    5.120 1110
    5.140 1103
    5.160 1160
    Average Particle Sizes : Scherrer Equation

    ◼ τ is the mean size of the ordered (crystalline) domains, which may be


    smaller or equal to the grain size;
    ◼ K is a dimensionless shape factor, with a value close to unity. The
    shape factor has a typical value of about 0.9, but varies with the actual
    shape of the crystallite;
    ◼ λ is the X-ray wavelength;
    ◼ β is the line broadening at half the maximum intensity (FWHM), after
    subtracting the instrumental line broadening, in radians. This quantity
    is also sometimes denoted as Δ(2θ);
    ◼ θ is the Bragg angle.
    Identifikasi fase kristal
    JCPDS card of Ni3Sn alloy
    JCPDS card of SnO

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