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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 |
| 3.656(24.33) | 200 | 5.970(14.83) | 140 | 4.744(18.69) | 120 | Djerfisherite | K6Na(Fe,Cu,Ni)25S26Cl |
| 3.660(24.30) | 200 | 5.620(15.76) | 200 | 6.180(14.32) | 200 | Plombierite | Ca5H2Si6O18·6H2O |
| 3.660(24.30) | 200 | 5.780(15.32) | 180 | 3.320(26.83) | 160 | Heazlewoodite | Ni3S2 |
| 3.664(24.27) | 200 | 5.860(15.11) | 180 | 6.160(14.37) | 160 | Betekhtinite | Cu10(Fe,Pb)S6 |
| 3.668(24.24) | 200 | 4.386(20.23) | 200 | 6.522(13.57) | 180 | Chukhrovite-(Y) | Ca3(Y,Ce)Al2(SO4)F13·10(H2O) |
| 3.670(24.23) | 200 | 4.756(18.64) | 180 | 5.992(14.77) | 180 | Owensite | (Ba,Pb)6(Cu,Fe,Ni)25S27 |
| 3.676(24.19) | 200 | 2.344(38.37) | 190 | 1.858(48.99) | 180 | Kalungaite | PdAsSe |
| 3.678(24.18) | 200 | 15.340(5.76) | 200 | 4.680(18.95) | 180 | Chlormagaluminite | (Mg,Fe++)4Al2(OH)12(Cl2,CO3)·2(H2O) |
| 3.684(24.14) | 200 | 5.274(16.80) | 180 | 5.138(17.24) | 160 | Zirsinalite | Na6(Ca,Mn,Fe++)Zr[Si6O18] |
| 3.688(24.11) | 200 | 6.120(14.46) | 160 | 3.778(23.53) | 120 | Luobusaite | Fe0.83Si2 |
| 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 | 6.890(12.84) | 200 | 3.940(22.55) | 180 | Calciborite | CaB2O4 |
| 3.734(23.81) | 200 | 3.186(27.98) | 198 | 5.284(16.76) | 130 | Plumbomicrolite | (Pb,Ca,U)2Ta2O6(OH) |
| 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 | 6.560(13.49) | 180 | 5.080(17.44) | 120 | Eglestonite | Hg6Cl3O(OH) (?) |
| 3.780(23.52) | 200 | 7.400(11.95) | 160 | 6.360(13.91) | 120 | Gerasimovskite | (Mn,Ca)(Nb,Ti)5O12·9(H2O) (?) |
| 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 |
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