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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 |
| 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 | 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 |
| 4.380(20.26) | 200 | 5.868(15.09) | 178 | 6.206(14.26) | 156 | Zoltaiite | BaV++++2V+++12Si2O27 |
| 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 | 2.288(39.35) | 170 | 3.794(23.43) | 150 | Roaldite | (Fe,Ni)4N |
| 4.382(20.25) | 200 | 3.840(23.14) | 140 | 2.684(33.36) | 120 | Tetraferroplatinum | PtFe |
| 4.384(20.24) | 200 | 6.054(14.62) | 200 | 4.176(21.26) | 160 | Stumpflite | Pt(Sb,Bi) |
| 4.384(20.24) | 200 | 3.870(22.96) | 100 | 2.648(33.82) | 80 | Ferronickelplatinum | Pt2FeNi |
| 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 | 7.560(11.70) | 140 | 8.520(10.37) | 100 | Tsnigriite | Ag9SbTe3(S,Se)3 |
| 4.400(20.16) | 200 | 4.540(19.54) | 200 | 3.160(28.22) | 140 | Stannopalladinite | (Pd,Cu)3Sn2 (?) |
| 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 | 4.278(20.75) | 162 | 4.516(19.64) | 92 | Andreyivanovite | FeCrP |
| 4.434(20.01) | 200 | 3.839(23.15) | 100 | 2.315(38.87) | 90 | Iridium | (Ir,Os,Ru,Pt) |
| 4.436(2-) | 200 | 4.318(20.55) | 114 | 6.174(14.33) | 76 | Yuanjiangite | AuSn |
| 4.440(19.98) | 200 | 4.760(18.63) | 200 | 2.480(36.19) | 160 | Goldamalgam | (Au,Ag)Hg |
| 4.440(19.98) | 200 | 5.040(17.58) | 84 | 5.960(14.85) | 50 | Kolymite | Cu7Hg6 |
| 4.440(19.98) | 200 | 5.420(16.34) | 200 | 4.580(19.36) | 160 | Marokite | CaMn+++2O4 |
| 4.440(19.98) | 200 | 3.972(22.36) | 80 | 5.000(17.72) | 80 | Palarstanide | Pd8(Sn,As)3 |
| 4.440(19.98) | 200 | 5.960(14.85) | 200 | 11.480(7.69) | 180 | Svanbergite | SrAl3(PO4)(SO4)(OH)6 |
| 4.442(19.97) | 200 | 4.454(19.92) | 200 | 5.046(17.56) | 200 | Belendorffite | Cu7Hg6 |
| 4.444(19.96) | 200 | 9.420(9.38) | 180 | 8.700(10.16) | 140 | Bayerite | Al(OH)3 |
| 4.446(19.95) | 200 | 3.142(28.38) | 120 | 5.136(17.25) | 120 | Manganosite | MnO |
| 4.460(19.89) | 200 | 3.840(23.14) | 140 | 3.880(22.90) | 140 | Auricupride | Cu3Au |
| 4.460(19.89) | 200 | 4.600(19.28) | 200 | 2.414(37.22) | 120 | Plumbopalladinite | Pd3Pb2 |
| 4.464(19.87) | 200 | 4.166(21.31) | 180 | 4.970(17.83) | 180 | Palladobismutharsenide | Pd2(As,Bi) |
| 4.466(19.86) | 200 | 4.090(21.71) | 136 | 3.846(23.11) | 84 | Barringerite | (Fe,Ni)2P |
| 4.474(19.83) | 200 | 2.612(34.30) | 100 | 4.180(21.24) | 80 | Telluropalladinite | Pd9Te4 |
| 4.474(19.83) | 200 | 4.134(21.48) | 160 | 4.852(18.27) | 140 | Rhodarsenide | (Rh,Pd)2As |
| 4.474(19.83) | 200 | 13.460(6.56) | 140 | 5.950(14.88) | 120 | Parasibirskite | Ca2B2O5·(H2O) |
| 4.476(19.82) | 200 | 4.240(20.93) | 160 | 4.146(21.41) | 140 | Allabogdanite | (Fe,Ni)2P |
| 4.476(19.82) | 200 | 5.940(14.90) | 180 | 6.300(14.05) | 160 | Jordanite | Pb14(As,Sb)6S23 |
| 4.480(19.80) | 200 | 2.662(33.64) | 60 | 4.728(18.75) | 60 | Titanium | Ti |
| 4.482(19.79) | 200 | 3.416(26.06) | 184 | 5.485(16.15) | 154 | Pertsevite | Mg2(BO3)F |
| 4.482(19.79) | 200 | 8.420(10.50) | 200 | 3.452(25.79) | 150 | Gatumbaite | CaAl2(PO4)2(OH)2·(H2O) |
| 4.486(19.77) | 200 | 1.879(48.40) | 180 | 2.719(32.91) | 160 | Weishanite | (Au,Ag)3Hg2 |
| 4.491(19.75) | 200 | 1.717(53.31) | 112 | 4.113(21.59) | 104 | Naldretteite | Pd2Sb |
| 4.492(19.75) | 200 | 6.144(14.40) | 200 | 4.224(21.01) | 160 | Laitakarite | Bi4(Se,S)3 |
| 4.492(19.75) | 200 | 3.890(22.84) | 84 | 2.752(32.51) | 50 | Palladium | Pd,Pt |
| 4.500(19.71) | 200 | 2.598(34.49) | 160 | 3.840(23.14) | 120 | Damiaoite | PtIn2 |
| 4.502(19.70) | 200 | 6.186(14.31) | 80 | 4.254(20.86) | 40 | Poubaite | PbBi2Se2(Te,S)2 |
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