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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 |
| 3.258(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 | FeTi6O13·4(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 |
| 3.354(26.55) | 200 | 5.128(17.28) | 186 | 6.280(14.09) | 182 | IMA2009-029 | Ca3Zr2(Fe+++2Si)O12 |
| 3.360(26.51) | 200 | 5.580(15.87) | 192 | 3.940(22.55) | 104 | Bravoite | (Fe,Ni,Co)S2 |
| 3.360(26.51) | 200 | 5.180(17.10) | 200 | 5.540(15.98) | 160 | Cobaltite | CoAsS |
| 3.360(26.51) | 200 | 3.660(24.30) | 120 | 5.740(15.42) | 100 | Fletcherite | Cu(Ni,Co)2S4 |
| 3.366(26.46) | 200 | 5.160(17.17) | 200 | 5.640(15.70) | 180 | Yafsoanite | Ca3Te2Zn3O12 |
| 3.372(26.41) | 200 | 4.962(17.86) | 160 | 4.366(20.32) | 140 | Pseudorutile | Fe+++2Ti3O9 |
| 3.376(26.38) | 200 | 3.022(29.53) | 120 | 5.346(16.57) | 120 | Schallerite | Mn++16[As+++O2OH][Si12O30](OH)14 |
| 3.380(26.35) | 200 | 6.420(13.78) | 160 | 4.960(17.87) | 120 | Belyankinite | Ca1-2(Ti,Zr,Nb)5O12·9(H2O) (?) |
| 3.380(26.35) | 200 | 3.400(26.19) | 200 | 2.870(31.14) | 180 | Davidite-(Ce) | (Ce,La)(Y,U)(Ti,Fe+++)20O38 |
| 3.384(26.31) | 80 | 4.960(17.87) | 60 | 6.420(13.78) | 40 | Manganbelyankinite | (Mn,Ca)(Ti,Nb)5O12·9(H2O) |
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