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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 |
| 14.520(6.08) | 200 | 9.592(9.21) | 160 | 16.960(5.21) | 140 | Schrockingerite | NaCa3(UO2)(CO3)3(SO4)F·10(H2O) |
| 14.520(6.08) | 200 | 5.120(17.31) | 160 | 5.740(15.42) | 160 | Volborthite | Cu++3V+++++2O7(OH)2·2(H2O) |
| 14.540(6.07) | 200 | 8.340(10.60) | 140 | 16.340(5.40) | 60 | Thornasite | Na12Th3[Si8O19]4·18(H2O) |
| 14.540(6.07) | 200 | 2.820(31.70) | 140 | 4.880(18.16) | 140 | Birnessite | (Na,Ca,K)x(Mn++++,Mn+++)2O4·1.5(H2O) |
| 14.560(6.07) | 200 | 4.476(19.82) | 160 | 7.680(11.51) | 160 | Nifontovite | Ca3B6O6(OH)12·2(H2O) |
| 14.560(6.07) | 200 | 10.160(8.70) | 140 | 6.880(12.86) | 50 | Schoepite | (UO2)8O2(OH)12·12(H2O) |
| 14.560(6.07) | 200 | 5.090(17.41) | 184 | 5.430(16.31) | 104 | Zn-Schulenbergite | (Zn,Cu)7(SO4,CO3)2(OH)10·3(H2O) |
| 14.580(6.06) | 200 | 4.226(21.00) | 60 | 17.300(5.10) | 60 | Penobsquisite | Ca2Fe++[B9O13(OH)6]Cl·4(H2O) |
| 14.580(6.06) | 200 | 16.780(5.26) | 200 | 7.100(12.46) | 160 | Guilleminite | Ba(UO2)3(SeO3)2O2·3(H2O) |
| 14.600(6.05) | 200 | 12.380(7.13) | 180 | 23.160(3.81) | 180 | Uranosilite | (U++++++O2)Si7O15 |
| 14.600(6.05) | 200 | 5.020(17.65) | 180 | 5.620(15.76) | 140 | Bementite | Mn8Si6O15(OH)10 |
| 14.600(6.05) | 200 | 5.020(17.65) | 180 | 5.620(15.76) | 140 | Caryopilite | (Mn++,Mg,Zn,Fe++)3(Si,As)2O510(OH,Cl)4 |
| 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 | 13.280(6.65) | 170 | 6.500(13.61) | 70 | Kernite | Na2B4O6(OH)2·3(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 | 4.580(19.36) | 120 | 6.660(13.28) | 100 | Ferrimolybdite | Fe+++2(MoO4)3·8(H2O) |
| 14.860(5.94) | 200 | 19.000(4.65) | 200 | 7.920(11.16) | 80 | Karpatite | C24H12 |
| 14.860(5.94) | 200 | 3.058(29.18) | 160 | 7.320(12.08) | 160 | Pecoraite | Ni3Si2O5(OH)4 |
| 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) |
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