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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 |
3.220(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 | 6.622(13.36) | 200 | 14.800(5.97) | 200 | Akaganeite | Fe+++(O,OH,Cl) |
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 |
3.280(27.16) | 200 | 2.780(32.17) | 190 | 5.680(15.59) | 170 | Simpsonite | Al4(Ta,Nb)3O13(OH) |
3.300(27.00) | 4.300(20.64) | 4.900(18.09) | Akhtenskite | Mn++++O2 | |||
3.334(26.72) | 200 | 5.078(17.45) | 180 | 5.580(15.87) | 160 | Kimzeyite | Ca3(Zr,Ti)2(Si,Al,Fe+++)3O12 |
3.340(26.67) | 200 | 2.840(31.47) | 120 | 4.320(20.54) | 120 | Kleberite | FeTi6O13ยท4(H2O) (?) |
3.340(26.67) | 200 | 5.340(16.59) | 194 | 7.260(12.18) | 192 | Eskolaite | Cr2O3 |
3.344(26.63) | 200 | 3.800(23.39) | 200 | 4.880(18.16) | 200 | Malyshevite | PdCuBiS3 |
3.348(26.60) | 200 | 4.720(18.78) | 180 | 5.700(15.53) | 180 | Polydymite | NiNi2S4 |
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