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X-Ray Diffraction Table |
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X-Ray Diffraction Table |
See Help on X-Ray Diffraction.
Powder X-ray Diffraction (XRD) is one of the primary techniques used by mineralogists and solid state chemists to examine the physico-chemical make-up of unknown materials. This data is represented in a collection of single-phase X-ray powder diffraction patterns for the three most intense D values in the form of tables of interplanar spacings (D), relative intensities (I/Io), mineral name and chemical formulae
The XRD technique takes a sample of the material and places a powdered sample in a holder, then the sample is illuminated with x-rays of a fixed wave-length and the intensity of the reflected radiation is recorded using a goniometer. This data is then analyzed for the reflection angle to calculate the inter-atomic spacing (D value in Angstrom units - 10-8 cm). The intensity(I) is measured to discriminate (using I ratios) the various D spacings and the results are compared to this table to identify possible matches. Note: 2 theta (Θ) angle calculated from the Bragg Equation, 2 Θ = 2(arcsin(n λ/(2d)) where n=1
For more information about this technique, see X-Ray Analysis of a Solid or take an internet course at Birkbeck College On-line Courses. Many thanks to Frederic Biret for these data.
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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 3.698(24.05) | 200 | 6.180(14.32) | 160 | 9.200(9.61) | 160 | Caledonite | Pb5Cu2(CO3)(SO4)3(OH)6 |
| 3.700(24.03) | 200 | 5.260(16.84) | 160 | 5.380(16.46) | 160 | Glaucochroite | CaMnSiO4 |
| 3.708(23.98) | 200 | 5.654(15.66) | 200 | 6.028(14.68) | 200 | Saryarkite-(Y) | Ca(Y,Th)Al5(SiO4)2(PO4,SO4)2(OH)7·6(H2O) |
| 3.712(23.95) | 200 | 5.600(15.81) | 200 | 7.000(12.64) | 200 | Plattnerite | PbO2 |
| 3.716(23.93) | 200 | 6.340(13.96) | 200 | 4.036(22.01) | 80 | Argentopentlandite | Ag(Fe,Ni)8S8 |
| 3.720(23.90) | 200 | 5.500(16.10) | 140 | 5.020(17.65) | 120 | Changchengite | IrBiS |
| 3.734(23.81) | 200 | 3.186(27.98) | 198 | 5.284(16.76) | 130 | Plumbomicrolite | (Pb,Ca,U)2Ta2O6(OH) |
| 3.734(23.81) | 200 | 6.890(12.84) | 200 | 3.940(22.55) | 180 | Calciborite | CaB2O4 |
| 3.740(23.77) | 200 | 6.080(14.56) | 200 | 3.180(28.04) | 100 | Arsenosulvanite | Cu3(As,V)S4 |
| 3.742(23.76) | 200 | 3.928(22.62) | 180 | 4.774(18.57) | 180 | Djurleite | Cu31S16 |
| 3.748(23.72) | 200 | 2.942(30.36) | 138 | 4.730(18.74) | 138 | Brizziite-VII | NaSb+++++O3 |
| 3.748(23.72) | 200 | 2.942(30.36) | 138 | 4.730(18.74) | 138 | Brizziite-III | NaSb+++++O3 |
| 3.750(23.71) | 200 | 6.396(13.83) | 200 | 4.082(21.75) | 162 | Palladseite | Pd17Se15 |
| 3.750(23.71) | 200 | 5.860(15.11) | 160 | 3.624(24.54) | 140 | Luberoite | Pt5Se4 |
| 3.754(23.68) | 200 | 3.918(22.68) | 180 | 3.996(22.23) | 160 | Novakite | (Cu,Ag)21As10 |
| 3.760(23.64) | 200 | 3.949(22.50) | 140 | 4.806(18.45) | 140 | Chalcocite | Cu2S |
| 3.772(23.57) | 200 | 5.340(16.59) | 200 | 15.140(5.83) | 200 | Borcarite | Ca4MgB4O6(OH)6(CO3)2 |
| 3.774(23.55) | 200 | 9.794(9.02) | 200 | 4.684(18.93) | 176 | Zincalstibite | Zn2AlSb(OH)12 |
| 3.780(23.52) | 200 | 3.660(24.30) | 180 | 4.000(22.21) | 180 | Synchysite-(Y) | CaY(CO3)2F |
| 3.780(23.52) | 200 | 7.400(11.95) | 160 | 6.360(13.91) | 120 | Gerasimovskite | (Mn,Ca)(Nb,Ti)5O12·9(H2O) (?) |
| 3.780(23.52) | 200 | 6.560(13.49) | 180 | 5.080(17.44) | 120 | Eglestonite | Hg6Cl3O(OH) (?) |
| 3.784(23.49) | 200 | 3.960(22.43) | 200 | 6.160(14.37) | 200 | Hypercinnabar | HgS |
| 3.784(23.49) | 200 | 7.580(11.66) | 200 | 3.740(23.77) | 160 | Osarsite | (Os,Ru)AsS |
| 3.798(23.40) | 200 | 6.122(14.46) | 110 | 5.534(16.00) | 70 | Yarrowite | Cu9S8 |
| 3.800(23.39) | 200 | 5.000(17.72) | 200 | 5.200(17.04) | 200 | Hastite | CoSe2 |
| 3.804(23.37) | 200 | 6.670(13.26) | 160 | 5.806(15.25) | 150 | Reinhardbraunsite | Ca5(SiO4)2(OH,F)2 |
| 3.808(23.34) | 200 | 6.220(14.23) | 160 | 3.250(27.42) | 80 | Chatkalite | Cu6Fe++Sn2S8 |
| 3.808(23.34) | 200 | 3.318(26.85) | 126 | 6.068(14.59) | 124 | Kumtyubeite | Ca5(SiO4)2F2 |
| 3.820(23.27) | 200 | 6.152(14.39) | 170 | 5.554(15.94) | 60 | Spionkopite | Cu1.4S |
| 3.820(23.27) | 200 | 5.456(16.23) | 148 | 6.082(14.55) | 130 | Chegemite | Ca7(SiO4)3(OH)2 |
| 3.820(23.27) | 200 | 4.422(20.06) | 200 | 9.040(9.78) | 200 | Hongshiite | PtCu |
| 3.830(23.20) | 200 | 5.260(16.84) | 200 | 5.340(16.59) | 160 | Omeiite | (Os,Ru)As2 |
| 3.832(23.19) | 200 | 4.620(19.20) | 200 | 4.094(21.69) | 198 | Ekaterinite | Ca2B4O7(Cl,OH)2·2(H2O) |
| 3.836(23.17) | 200 | 5.420(16.34) | 100 | 7.660(11.54) | 70 | Neighborite | NaMgF3 |
| 3.836(23.17) | 200 | 3.954(22.47) | 200 | 4.220(21.03) | 80 | Orcelite | Ni5-xAs2 (x=0.23) |
| 3.836(23.17) | 200 | 4.348(20.41) | 200 | 6.660(13.28) | 200 | Genthelvite | Zn4Be3(SiO4)3S |
| 3.840(23.14) | 200 | 2.190(41.19) | 180 | 3.002(29.74) | 180 | Anduoite | (Ru,Os)As2 |
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