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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 |
| 21.580(4.09) | 200 | 16.240(5.44) | 160 | 12.200(7.24) | 140 | Partheite | Ca2Al4Si4O15(OH)2·4(H2O) |
| 21.600(4.09) | 200 | 6.600(13.40) | 180 | 5.450(16.25) | 120 | Guarinoite | (Zn,Co,Ni)6(SO4)(OH,Cl)10·5(H2O) |
| 21.600(4.09) | 200 | 5.776(15.33) | 62 | 6.166(14.35) | 56 | Delindeite | Ba2(Na,K,[ ])3(Ti,Fe)[Ti2(O,OH)4Si4O14](H2O,OH)2 |
| 21.600(4.09) | 200 | 6.720(13.16) | 160 | 4.880(18.16) | 120 | Rauenthalite | Ca3(AsO4)2·10(H2O) |
| 21.600(4.09) | 200 | 23.380(3.78) | 160 | 5.862(15.10) | 140 | Moreauite | Al3(UO2)(PO4)3(OH)2·13(H2O) |
| 21.620(4.08) | 200 | 21.680(4.07) | 200 | 5.662(15.64) | 180 | Ferrarisite | Ca5(AsO3OH)2(AsO4)2·9(H2O) |
| 21.620(4.08) | 200 | 3.874(22.94) | 10 | 7.180(12.32) | 10 | Corvusite | (Na,Ca,K)V8O20·4(H2O) |
| 21.640(4.08) | 200 | 5.276(16.79) | 80 | 4.470(19.85) | 60 | Tuperssuatsiaite | Na(Fe+++,Mn)3[Si8O20](OH)2·n(H2O) |
| 21.700(4.07) | 200 | 10.914(8.09) | 40 | 11.816(7.48) | 24 | Vauxite | Fe++Al2(PO4)2(OH)2·6(H2O) |
| 21.700(4.07) | 200 | 5.260(16.84) | 120 | 7.250(12.20) | 100 | Leogangite | Cu10(AsO4)4(SO4)(OH)6·8(H2O) |
| 21.740(4.06) | 200 | 6.320(14.00) | 140 | 5.760(15.37) | 120 | Smolianinovite | (Co,Ni,Mg,Ca)3(Fe+++,Al)2(AsO4)4·11(H2O) |
| 21.800(4.05) | 200 | 7.540(11.73) | 160 | 15.260(5.79) | 100 | Abelsonite | Ni++C31H32N4 |
| 21.800(4.05) | 200 | 10.900(8.10) | 180 | 7.260(12.18) | 160 | Glaucocerinite | (Zn,Cu)5Al3(SO4)1.5(OH)16·9(H2O) |
| 21.800(4.05) | 200 | 10.920(8.09) | 120 | 7.320(12.08) | 100 | Woodwardite | Cu4Al2(SO4)(OH)12·2-4(H2O) |
| 21.860(4.04) | 200 | 10.918(8.09) | 160 | 7.758(11.40) | 140 | Holdawayite | Mn++6(CO3)2(OH)7(Cl,OH) |
| 21.880(4.04) | 200 | 26.000(3.40) | 60 | 5.456(16.23) | 50 | Nafertisite | Na3(Fe++,Fe+++)6(Ti2Si12O34)(O,OH)7·2(H2O) |
| 21.920(4.03) | 200 | 5.124(17.29) | 180 | 5.326(16.63) | 160 | Osakaite | Zn4SO4(OH)6·5H2O |
| 21.960(4.02) | 200 | 5.094(17.39) | 180 | 10.940(8.08) | 180 | Shigaite | Mn++7Al4(SO4)2(OH)22·8(H2O) |
| 21.960(4.02) | 200 | 11.078(7.97) | 120 | 7.348(12.03) | 100 | Nikischerite | NaFe++6Al3(SO4)2(OH)18(H2O)12 |
| 21.980(4.02) | 200 | 44.580(1.98) | 96 | 6.340(13.96) | 66 | Brinrobertsite | (Na,K,Ca)x(Al,Fe,Mg)4(Si,Al)8O20(OH)4·3.54(H2O) [x = 0.35, n = 3.54] |
| 22.000(4.01) | 200 | 36.600(2.41) | 50 | 7.756(11.40) | 40 | Pushcharovskite | Cu(AsO3OH)·1.5(H2O) |
| 22.000(4.01) | 200 | 11.100(7.96) | 140 | 9.460(9.34) | 120 | Franconite | Na2Nb4O11·9(H2O) |
| 22.000(4.01) | 200 | 44.000(2.01) | 200 | 6.400(13.83) | 160 | Fahleite | Zn5CaFe+++2(AsO4)6·14(H2O) |
| 22.000(4.01) | 200 | 10.720(8.24) | 100 | 7.360(12.01) | 80 | Hydrohonessite | Ni6Fe+++2(SO4)(OH)16·7(H2O) |
| 22.060(4.00) | 200 | 11.060(7.99) | 70 | 4.327(20.51) | 50 | Hewettite | CaV6O16·9(H2O) |
| 22.200(3.98) | 200 | 6.580(13.45) | 160 | 7.480(11.82) | 160 | Coconinoite | Fe+++2Al2(UO2)2(PO4)4(SO4)(OH)2·18(H2O) |
| 22.200(3.98) | 200 | 5.438(16.29) | 100 | 4.360(20.35) | 98 | Cronusite | Ca0.2(H2O)2CrS2 |
| 22.220(3.97) | 200 | 6.580(13.45) | 160 | 7.480(11.82) | 160 | Xiangjiangite | (Fe+++,Al)(UO2)4(PO4)2(SO4)2(OH)·22(H2O) |
| 22.240(3.97) | 200 | 6.740(13.12) | 180 | 13.620(6.48) | 120 | Switzerite | (Mn++,Fe++)3(PO4)2·7(H2O) |
| 22.240(3.97) | 200 | 11.098(7.96) | 48 | 7.408(11.94) | 30 | Zincowoodwardite | [Zn1-xAlx(OH)2][(SO4)x/2(H2O)n] |
| 22.280(3.96) | 200 | 5.570(15.90) | 50 | 8.748(10.10) | 42 | Nissonite | Cu2Mg2(PO4)2(OH)2·5(H2O) |
| 22.400(3.94) | 200 | 5.466(16.20) | 120 | 11.220(7.87) | 120 | Kittatinnyite | Ca2Mn+++2Mn++Si2O8(OH)4·9(H2O) |
| 22.400(3.94) | 200 | 5.360(16.53) | 140 | 11.300(7.82) | 120 | Diaoyudaoite | NaAl11O17 |
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