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Minerals Arranged by X-Ray Powder Diffraction
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.
|
Selected X-Ray λ |
Change X-Ray λ |
D1 Å |
D2 Å |
D3 Å |
Tolerance % |
Elements |
|---|
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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 1.640(56.03) | 100 | 1.390(67.31) | 95 | 2.840(31.47) | 85 | Simpsonite | Al4(Ta,Nb)3O13(OH) |
| 1.650(55.66) | 2.150(41.99) | 2.450(36.65) | Akhtenskite | Mn++++O2 | |||
| 1.667(55.04) | 100 | 2.539(35.32) | 90 | 2.790(32.05) | 80 | Kimzeyite | Ca3(Zr,Ti)2(Si,Al,Fe+++)3O12 |
| 1.670(54.94) | 100 | 2.160(41.78) | 60 | 1.420(65.70) | 60 | Kleberite | FeTi6O13•4(H2O) (?) |
| 1.670(54.94) | 100 | 2.670(33.54) | 97 | 3.630(24.50) | 96 | Eskolaite | Cr2O3 |
| 1.670(54.94) | 100 | 1.420(65.70) | 60 | 2.160(41.78) | 60 | Kleberite | FeTi6O13•4(H2O) (?) |
| 1.672(54.86) | 100 | 1.900(47.83) | 100 | 2.440(36.80) | 100 | Malyshevite | PdCuBiS3 |
| 1.672(54.86) | 100 | 2.440(36.80) | 100 | 1.900(47.83) | 100 | Malyshevite | PdCuBiS3 |
| 1.672(54.86) | 100 | 2.440(36.80) | 100 | 3.770(23.58) | 100 | Malyshevite | PdCuBiS3 |
| 1.674(54.79) | 100 | 2.360(38.10) | 90 | 2.850(31.36) | 90 | Polydymite | NiNi2S4 |
| 1.674(54.79) | 100 | 2.850(31.36) | 90 | 2.360(38.10) | 90 | Polydymite | NiNi2S4 |
| 1.680(54.58) | 100 | 2.790(32.05) | 96 | 1.970(46.03) | 52 | Bravoite | (Fe,Ni,Co)S2 |
| 1.680(54.58) | 100 | 2.590(34.60) | 100 | 2.770(32.29) | 80 | Cobaltite | CoAsS |
| 1.680(54.58) | 100 | 1.830(49.79) | 60 | 2.870(31.14) | 50 | Fletcherite | Cu(Ni,Co)2S4 |
| 1.683(54.48) | 100 | 2.580(34.74) | 100 | 2.820(31.70) | 90 | Yafsoanite | Ca3Te2Zn3O12 |
| 1.686(54.37) | 100 | 2.481(36.18) | 80 | 2.183(41.32) | 70 | Pseudorutile | Fe+++2Ti3O9 |
| 1.688(54.30) | 100 | 1.511(61.30) | 60 | 2.673(33.50) | 60 | Schallerite | Mn++16[As+++O2OH][Si12O30](OH)14 |
| 1.688(54.30) | 100 | 2.673(33.50) | 60 | 1.511(61.30) | 60 | Schallerite | Mn++16[As+++O2OH][Si12O30](OH)14 |
| 1.690(54.23) | 100 | 3.210(27.77) | 80 | 2.480(36.19) | 60 | Belyankinite | Ca1-2(Ti,Zr,Nb)5O12•9(H2O) (?) |
| 1.690(54.23) | 100 | 1.700(53.89) | 100 | 1.435(64.93) | 90 | Davidite-(Ce) | (Ce,La)(Y,U)(Ti,Fe+++)20O38 |
| 1.692(54.16) | 40 | 2.480(36.19) | 30 | 3.210(27.77) | 20 | Manganbelyankinite | (Mn,Ca)(Ti,Nb)5O12•9(H2O) |
| 1.692(54.16) | 40 | 3.210(27.77) | 30 | 2.890(30.92) | 20 | Manganbelyankinite | (Mn,Ca)(Ti,Nb)5O12•9(H2O) |
| 1.694(54.09) | 100 | 3.258(27.35) | 80 | 2.985(29.91) | 70 | Yttrobetafite-(Y) | (Y,U,Ce)2(Ti,Nb,Ta)2O6(OH) |
| 1.695(54.06) | 100 | 3.250(27.42) | 80 | 2.810(31.82) | 70 | Laurite | RuS2 |
| 1.700(53.89) | 100 | 1.690(54.23) | 100 | 1.435(64.93) | 90 | Davidite-(Ce) | (Ce,La)(Y,U)(Ti,Fe+++)20O38 |
| 1.703(53.78) | 100 | 2.579(34.76) | 90 | 2.707(33.06) | 88 | Tistarite | Ti2O3 |
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