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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 |
| 14.620(6.04) | 200 | 7.260(12.18) | 180 | 5.002(17.72) | 140 | Nepouite | Ni3Si2O5(OH)4 |
| 14.628(6.04) | 200 | 7.304(12.11) | 40 | 4.734(18.73) | 32 | Nakauriite | (Mn,Ni,Cu)8(SO4)4(CO3)(OH)6·48(H2O) |
| 14.640(6.03) | 200 | 7.300(12.11) | 140 | 9.140(9.67) | 100 | Chrysotile | Mg3Si2O5(OH)4 |
| 14.680(6.02) | 200 | 7.320(12.08) | 110 | 6.980(12.67) | 90 | Natrozippeite | Na4(UO2)6(SO4)3(OH)10·4(H2O) |
| 14.700(6.01) | 200 | 7.872(11.23) | 120 | 8.880(9.95) | 120 | Yvonite | Cu(AsO3OH)·2(H2O) |
| 14.720(6.00) | 200 | 13.900(6.35) | 180 | 21.000(4.20) | 150 | Kanonerovite | MnNa3P3O10·12(H2O) |
| 14.740(5.99) | 200 | 5.112(17.33) | 100 | 6.564(13.48) | 60 | Bechererite | (Zn,Cu)6Zn2(OH)13[(S,Si)(O,OH)4]2 |
| 14.744(5.99) | 200 | 6.160(14.37) | 172 | 15.542(5.68) | 166 | Kainite | MgSO4·KCl·3(H2O) |
| 14.800(5.97) | 200 | 4.580(19.36) | 120 | 6.660(13.28) | 100 | Ferrimolybdite | Fe+++2(MoO4)3·8(H2O) |
| 14.800(5.97) | 200 | 6.380(13.87) | 160 | 7.060(12.53) | 160 | Compreignacite | K2(UO2)6O4(OH)6·8(H2O) |
| 14.800(5.97) | 200 | 13.280(6.65) | 170 | 6.500(13.61) | 70 | Kernite | Na2B4O6(OH)2·3(H2O) |
| 14.860(5.94) | 200 | 3.058(29.18) | 160 | 7.320(12.08) | 160 | Pecoraite | Ni3Si2O5(OH)4 |
| 14.860(5.94) | 200 | 19.000(4.65) | 200 | 7.920(11.16) | 80 | Karpatite | C24H12 |
| 14.880(5.93) | 200 | 6.400(13.83) | 70 | 7.460(11.85) | 60 | Becquerelite | Ca(UO2)6O4(OH)6·8(H2O) |
| 14.892(5.93) | 200 | 12.534(7.05) | 88 | 5.996(14.76) | 62 | Burgessite | Co2(H2O)4[(AsO3OH)]2·(H2O) |
| 14.900(5.93) | 200 | 4.332(20.48) | 180 | 4.682(18.94) | 180 | Montetrisaite | Cu6(SO4)(OH)10·H2O |
| 14.920(5.92) | 200 | 6.140(14.41) | 180 | 5.096(17.39) | 160 | Aldzhanite | CaMgB2O4Cl·7(H2O) (?) |
| 14.980(5.89) | 200 | 7.492(11.80) | 100 | 5.250(16.87) | 80 | Caresite | Fe++4Al2(OH)12CO3·3(H2O) |
| 15.000(5.89) | 200 | 4.962(17.86) | 160 | 6.040(14.65) | 120 | Calumetite | Cu(OH,Cl)2·2(H2O) |
| 15.000(5.89) | 200 | 29.800(2.96) | 120 | 22.200(3.98) | 80 | Metaschoderite | Al2(PO4)(VO4)·6(H2O) |
| 15.000(5.89) | 200 | 5.242(16.90) | 100 | 7.260(12.18) | 100 | Sclarite | (Zn,Mg,Mn++)4Zn3(CO3)2(OH)10 |
| 15.020(5.88) | 200 | 3.084(28.93) | 150 | 3.078(28.99) | 150 | Zaccagnaite | Zn4Al2(OH)12(CO3)·3(H2O) |
| 15.024(5.88) | 200 | 6.532(13.54) | 182 | 7.056(12.53) | 180 | Fluckite | CaMn(HAsO4)2·2(H2O) |
| 15.060(5.86) | 200 | 7.536(11.73) | 120 | 5.156(17.18) | 100 | Charmarite-2H | Mn++4Al2(CO3)(OH)12·3(H2O) |
| 15.100(5.85) | 200 | 7.540(11.73) | 180 | 5.340(16.59) | 140 | Charmarite-3T | Mn++4Al2(CO3)(OH)12·3(H2O) |
| 15.120(5.84) | 200 | 5.980(14.80) | 180 | 8.960(9.86) | 140 | Parahopeite | Zn3(PO4)2·4(H2O) |
| 15.120(5.84) | 200 | 14.260(6.19) | 96 | 7.542(11.72) | 68 | Jachymovite | (UO2)8(SO4)(OH)14·13(H2O) |
| 15.120(5.84) | 200 | 7.540(11.73) | 40 | 4.920(18.01) | 24 | Rancieite | (Ca,Mn++)Mn++++4O9·3(H2O) |
| 15.120(5.84) | 200 | 6.366(13.90) | 70 | 7.560(11.70) | 50 | Billietite | Ba(UO2)6O4(OH)6·8(H2O) |
| 15.140(5.83) | 200 | 5.342(16.58) | 168 | 5.454(16.24) | 136 | Numanoite | Ca4CuB4O6(OH)6(CO3)2 |
| 15.140(5.83) | 200 | 3.834(23.18) | 180 | 5.104(17.36) | 180 | Takovite | Ni6Al2(OH)16(CO3,OH)·4(H2O) |
| 15.140(5.83) | 200 | 7.556(11.70) | 180 | 5.140(17.24) | 80 | Quintinite-3T | Mg4Al2(OH)12CO3·4(H2O) |
| 15.180(5.82) | 200 | 28.400(3.11) | 200 | 5.900(15.00) | 132 | Rivadavite | Na6MgB24O40·22(H2O) |
| 15.192(5.81) | 200 | 6.640(13.32) | 60 | 6.742(13.12) | 52 | IMA2008-029 | (NH4)3Fe(SO4)3 |
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