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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 |
| 11.400(7.75) | 200 | 7.080(12.49) | 182 | 5.720(15.48) | 156 | Acetamide | CO(CH3)(NH2) |
| 11.400(7.75) | 200 | 6.770(13.07) | 32 | 3.380(26.35) | 28 | Dawsonite | NaAl(CO3)(OH)2 |
| 11.400(7.75) | 200 | 12.700(6.95) | 190 | 6.560(13.49) | 60 | Kladnoite | C6H4(CO)2NH |
| 11.420(7.74) | 200 | 22.800(3.87) | 200 | 6.740(13.12) | 120 | Valleriite | 4(Fe,Cu)S·3(Mg,Al)(OH)2 |
| 11.440(7.72) | 200 | 14.560(6.07) | 180 | 6.488(13.64) | 120 | Faheyite | (Mn,Mg)Fe+++2Be2(PO4)4·6(H2O) |
| 11.460(7.71) | 200 | 5.380(16.46) | 160 | 16.220(5.44) | 160 | Orschallite | Ca3(SO3)2SO4·12(H2O) |
| 11.460(7.71) | 200 | 4.928(17.99) | 162 | 5.460(16.22) | 78 | Kapellasite | Cu3Zn(OH)6Cl2 |
| 11.460(7.71) | 200 | 10.160(8.70) | 140 | 5.240(16.91) | 100 | Carpholite | MnAl2Si2O6(OH)4 |
| 11.480(7.69) | 200 | 3.530(25.21) | 170 | 5.760(15.37) | 150 | Ralstonite | NaxMgxAl2-x(F,OH)6·(H2O) |
| 11.480(7.69) | 200 | 14.200(6.22) | 200 | 6.478(13.66) | 140 | Poughite | Fe+++2(TeO3)2(SO4)·3(H2O) |
| 11.490(7.69) | 200 | 5.744(15.41) | 34 | 3.830(23.20) | 18 | Haydeeite | Cu3Mg(OH)6Cl2 |
| 11.500(7.68) | 200 | 5.282(16.77) | 52 | 6.160(14.37) | 44 | Vanadiocarpholite | Mn++V+++Al(Si2O6)(OH)4 |
| 11.500(7.68) | 200 | 12.600(7.01) | 100 | 8.720(10.14) | 80 | Widgiemoolthalite | (Ni,Mg)5(CO3)4(OH)2·4-5(H2O) |
| 11.520(7.67) | 200 | 6.160(14.37) | 160 | 16.180(5.46) | 160 | Grimselite | K3Na(UO2)(CO3)3·(H2O) |
| 11.520(7.67) | 200 | 5.830(15.18) | 70 | 6.890(12.84) | 50 | Tolbachite | CuCl2 |
| 11.534(7.66) | 200 | 3.762(23.63) | 96 | 6.302(14.04) | 70 | Catamarcaite | Cu6GeWS8 |
| 11.540(7.65) | 200 | 13.360(6.61) | 170 | 6.640(13.32) | 100 | Hydroboracite | CaMgB6O8(OH)6·3(H2O) |
| 11.580(7.63) | 200 | 5.798(15.27) | 164 | 18.400(4.80) | 78 | Hydromagnesite | Mg5(CO3)4(OH)2·4(H2O) |
| 11.590(7.62) | 200 | 6.996(12.64) | 180 | 7.762(11.39) | 96 | Bobjonesite | VO(SO4)(H2O)3 |
| 11.600(7.61) | 200 | 10.480(8.43) | 180 | 15.240(5.79) | 180 | Indigirite | Mg2Al2(CO3)4(OH)2·15(H2O) |
| 11.622(7.60) | 200 | 10.064(8.78) | 146 | 5.032(17.61) | 138 | Panichiite | (NH4)2SnCl6 |
| 11.622(7.60) | 200 | 18.636(4.74) | 178 | 11.358(7.78) | 86 | Hellyerite | NiCO3·6(H2O) |
| 11.648(7.58) | 200 | 11.732(7.53) | 160 | 6.326(13.99) | 30 | Hydromolysite | FeCl3·6(H2O) |
| 11.680(7.56) | 200 | 8.280(10.68) | 140 | 7.980(11.08) | 120 | Anthonyite | Cu(OH,Cl)2·3(H2O) |
| 11.680(7.56) | 200 | 5.440(16.28) | 144 | 9.960(8.87) | 122 | Jokokuite | MnSO4·5(H2O) |
| 11.686(7.56) | 200 | 19.408(4.55) | 200 | 6.278(14.10) | 180 | Dickthomssenite | Mg(V+++++2O6)·7(H2O) |
| 11.700(7.55) | 200 | 5.180(17.10) | 160 | 6.320(14.00) | 50 | Scacchite | MnCl2 |
| 11.700(7.55) | 200 | 6.060(14.61) | 190 | 4.552(19.48) | 90 | Beaverite | PbCu++(Fe+++,Al)2(SO4)2(OH)6 |
| 11.740(7.52) | 200 | 4.742(18.70) | 100 | 3.892(22.83) | 90 | Leonite | K2Mg(SO4)2·4(H2O) |
| 11.760(7.51) | 200 | 6.120(14.46) | 180 | 4.500(19.71) | 120 | Benauite | HSrFe+++3(PO4)2(OH)6 |
| 11.760(7.51) | 200 | 5.888(15.03) | 156 | 6.160(14.37) | 124 | Elsmoreite | WO3·0.5(H2O) |
| 11.780(7.50) | 200 | 16.020(5.51) | 200 | 6.280(14.09) | 180 | Dewindtite | Pb3[H(UO2)3O2(PO4)2]2·12(H2O) |
| 11.780(7.50) | 200 | 7.320(12.08) | 180 | 5.852(15.13) | 160 | Clinochalcomenite | CuSeO3·2(H2O) |
| 11.780(7.50) | 200 | 5.880(15.05) | 100 | 5.140(17.24) | 20 | Chloromagnesite | MgCl2 |
| 11.794(7.49) | 200 | 25.540(3.46) | 180 | 5.742(15.42) | 160 | Mourite | U++++Mo++++++5O12(OH)10 |
| 11.800(7.49) | 200 | 15.900(5.55) | 162 | 7.882(11.22) | 142 | Deliensite | Fe++(UO2)2(SO4)2(OH)2·3(H2O) |
| 11.820(7.47) | 200 | 19.000(4.65) | 180 | 6.320(14.00) | 140 | Zanazziite | Ca2(Mg,Fe++)(Mg,Fe++,Al,Mn,Fe+++)4Be4(PO4)6(OH)4·6(H2O) |
| 11.831(7.47) | 200 | 15.721(5.62) | 174 | 8.744(10.11) | 172 | Kochsandorite | CaAl2(CO3)2(OH)4·H2O |
| 11.840(7.46) | 200 | 5.568(15.90) | 172 | 6.340(13.96) | 106 | Atencioite | Ca2Fe++[ ]Mg2Fe++2Be4(PO4)6(OH)4·6H2O |
| 11.840(7.46) | 200 | 6.800(13.01) | 160 | 5.920(14.95) | 120 | Studtite | [(UO2)O2(H2O)2](H2O)2 |
| 11.852(7.45) | 200 | 13.546(6.52) | 126 | 10.068(8.78) | 116 | Metarossite | CaV2O6·2(H2O) |
| 11.860(7.45) | 200 | 6.980(12.67) | 180 | 4.720(18.78) | 140 | Cesbronite-x | Cu5(TeO3)2(OH)6·2(H2O) |
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