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 |
4.276(20.76) | 200 | 3.721(23.89) | 140 | 2.610(34.33) | 120 | Nielsenite | PdCu3 |
4.280(20.74) | 200 | 4.420(20.07) | 180 | 5.200(17.04) | 140 | Palladoarsenide | Pd2As |
4.280(20.74) | 200 | 3.240(27.51) | 180 | 6.480(13.65) | 140 | Sinhalite | MgAlBO4 |
4.288(20.70) | 200 | 2.162(41.74) | 160 | 3.058(29.18) | 140 | Hongquiite | TiO |
4.292(20.68) | 200 | 3.036(29.39) | 160 | 4.952(17.90) | 140 | Wustite | FeO |
4.300(20.64) | 200 | 4.580(19.36) | 110 | 4.720(18.78) | 80 | Taimyrite | (Pd,Cu,Pt)3Sn |
4.302(20.63) | 200 | 4.712(18.82) | 200 | 3.726(23.86) | 160 | Haxonite | (Fe,Ni)23C6 |
4.312(20.58) | 200 | 6.086(14.54) | 160 | 14.060(6.28) | 120 | Henryite | Cu4Ag3Te4 |
4.320(20.54) | 200 | 7.860(11.25) | 150 | 5.560(15.93) | 126 | Antarcticite | CaCl2ยท6(H2O) |
4.320(20.54) | 200 | 5.100(17.37) | 160 | 6.060(14.61) | 140 | Stutzite | Ag5-xTe3,(x=0.24-0.36) |
4.332(20.48) | 200 | 6.774(13.06) | 200 | 3.850(23.08) | 160 | Stenonite | (Sr,Ba,Na)2Al(CO3)F5 |
4.334(20.48) | 200 | 4.712(18.82) | 180 | 1.720(53.21) | 160 | Isomertieite | Pd11Sb2As2 |
4.340(20.45) | 200 | 3.990(22.26) | 140 | 3.910(22.72) | 140 | Nickelphosphide | (Ni,Fe)3P |
4.344(20.43) | 200 | 5.416(16.35) | 200 | 5.296(16.73) | 180 | Crawfordite | Na3Sr(PO4)(CO3) |
4.352(20.39) | 200 | 5.088(17.42) | 180 | 6.292(14.06) | 180 | Ungarettiite | NaNa2(Mn++2Mn+++3)Si8O22O2 |
4.358(20.36) | 200 | 2.188(41.23) | 160 | 2.326(38.68) | 160 | Tulameenite | Pt2FeCu |
4.360(20.35) | 200 | 4.460(19.89) | 200 | 5.340(16.59) | 200 | Kotoite | Mg3B2O6 |
4.360(20.35) | 200 | 4.280(20.74) | 160 | 5.440(16.28) | 160 | Ferriallanite-(Ce) | CaCe(Fe+++,Fe++,Al)3[SiO4][Si2O7]O(OH) |
4.380(20.26) | 200 | 5.868(15.09) | 178 | 6.206(14.26) | 156 | Zoltaiite | BaV++++2V+++12Si2O27 |
4.380(20.26) | 200 | 4.180(21.24) | 160 | 3.120(28.59) | 100 | Cesarolite | PbH2Mn++++3O8 |
4.380(20.26) | 200 | 3.944(22.52) | 140 | 4.200(21.14) | 140 | Schreibersite | (Fe,Ni)3P |
4.382(20.25) | 200 | 4.562(19.44) | 180 | 2.460(36.49) | 120 | Mertieite-II | Pd8(Sb,As)3 |
4.382(20.25) | 200 | 3.840(23.14) | 140 | 2.684(33.36) | 120 | Tetraferroplatinum | PtFe |
4.382(20.25) | 200 | 2.288(39.35) | 170 | 3.794(23.43) | 150 | Roaldite | (Fe,Ni)4N |
4.384(20.24) | 200 | 3.870(22.96) | 100 | 2.648(33.82) | 80 | Ferronickelplatinum | Pt2FeNi |
4.384(20.24) | 200 | 6.054(14.62) | 200 | 4.176(21.26) | 160 | Stumpflite | Pt(Sb,Bi) |
4.388(20.22) | 200 | 4.540(19.54) | 200 | 3.154(28.27) | 100 | Stibiopalladinite | Pd5Sb2 |
4.392(20.20) | 200 | 3.468(25.67) | 180 | 15.680(5.63) | 180 | Solongoite | Ca2B3O4(OH)4Cl |
4.394(20.19) | 200 | 4.790(18.51) | 160 | 2.542(35.28) | 60 | Miessiite | Pd11Te2Se2 |
4.400(20.16) | 200 | 4.540(19.54) | 200 | 3.160(28.22) | 140 | Stannopalladinite | (Pd,Cu)3Sn2 (?) |
4.400(20.16) | 200 | 7.560(11.70) | 140 | 8.520(10.37) | 100 | Tsnigriite | Ag9SbTe3(S,Se)3 |
4.418(20.08) | 200 | 5.492(16.13) | 200 | 4.180(21.24) | 180 | Hsianghualite | Ca3Li2Be3(SiO4)3F2 |
4.420(20.07) | 200 | 5.660(15.64) | 184 | 4.500(19.71) | 174 | Karlite | (Mg,Al)6(BO3)3(OH,Cl)4 |
4.434(20.01) | 200 | 3.839(23.15) | 100 | 2.315(38.87) | 90 | Iridium | (Ir,Os,Ru,Pt) |
4.434(20.01) | 200 | 4.278(20.75) | 162 | 4.516(19.64) | 92 | Andreyivanovite | FeCrP |
4.436(2-) | 200 | 4.318(20.55) | 114 | 6.174(14.33) | 76 | Yuanjiangite | AuSn |
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