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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 |
3.148(28.33) | 200 | 5.240(16.91) | 200 | 5.840(15.16) | 180 | Calderite | (Mn++,Ca)3(Fe+++,Al)2(SiO4)3 |
3.174(28.09) | 200 | 3.680(24.16) | 200 | 6.080(14.56) | 200 | Cesstibtantite | (Cs,Na)SbTa4O12 |
3.180(28.04) | 200 | 3.600(24.71) | 200 | 4.260(20.83) | 200 | Lindsleyite | (Ba,Sr)(Ti,Cr,Fe,Mg)21O38 |
3.212(27.75) | 5.802(15.26) | 6.828(12.95) | Dessauite | (Sr,Pb)(Y,U)(Ti,Fe+++)20O38 | |||
3.218(27.70) | 200 | 6.318(14.01) | 200 | 5.266(16.82) | 160 | Cobaltaustinite | CaCo(AsO4)(OH) |
3.220(27.68) | 200 | 5.040(17.58) | 200 | 5.900(15.00) | 200 | Maghemite | gamma-Fe+++2O3 |
3.236(27.54) | 200 | 3.746(23.73) | 200 | 5.290(16.75) | 200 | Zavaritskite | BiOF |
3.240(27.51) | 200 | 4.280(20.74) | 200 | 5.900(15.00) | 200 | Bismutite | Bi2(CO3)O2 |
3.240(27.51) | 200 | 5.420(16.34) | 200 | 6.060(14.61) | 160 | Hibschite | Ca3Al2(SiO4)3-x(OH)4x(x=0.2-1.5) |
3.250(27.42) | 200 | 4.280(20.74) | 200 | 4.204(21.12) | 120 | Pseudosinhalite | Mg2Al3B2O9(OH) |
3.258(27.35) | 200 | 5.318(16.66) | 200 | 10.600(8.33) | 200 | Murdochite | PbCu6O8-x(Cl,Br)2x |
3.266(27.28) | 200 | 5.418(16.35) | 170 | 4.846(18.29) | 130 | Pyrite | FeS2 |
3.270(27.25) | 200 | 8.000(11.05) | 196 | 4.660(19.03) | 138 | Nsutite | (Mn++++1-x)(Mn++x)(O2-2x)(OH2x) where x = 0.06-0.07 |
3.270(27.25) | 200 | 6.622(13.36) | 200 | 14.800(5.97) | 200 | Akaganeite | Fe+++(O,OH,Cl) |
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