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 |
4.236(20.95) | 200 | 6.912(12.80) | 200 | 3.608(24.65) | 120 | Cameronite | AgCu7Te10 |
4.238(20.94) | 200 | 4.628(19.16) | 200 | 3.982(22.31) | 140 | Oregonite | Ni2FeAs2 |
4.240(20.93) | 200 | 4.898(18.10) | 144 | 2.999(29.77) | 90 | Osbornite | TiN |
4.248(20.89) | 200 | 4.460(19.89) | 194 | 3.822(23.25) | 88 | IMA2007-036 | TiFeSi2 |
4.260(20.83) | 200 | 4.680(18.95) | 120 | 2.820(31.70) | 80 | Arsenopalladinite | Pd8(As,Sb)3 |
4.260(20.83) | 200 | 15.220(5.80) | 200 | 5.940(14.90) | 180 | Uralborite | CaB2O2(OH)4 |
4.260(20.83) | 200 | 2.448(36.68) | 160 | 2.118(42.65) | 80 | Bortnikovite | Pd4Cu3Zn |
4.262(20.82) | 200 | 5.750(15.40) | 200 | 6.780(13.05) | 200 | Crichtonite | (Sr,La,Ce,Y)(Ti,Fe+++,Mn)21O38 |
4.268(20.80) | 200 | 4.664(19.01) | 200 | 6.020(14.70) | 200 | Nabiasite | BaMn9[(V,As)O4]6(OH)2 |
4.276(20.76) | 200 | 3.721(23.89) | 140 | 2.610(34.33) | 120 | Nielsenite | PdCu3 |
4.280(20.74) | 200 | 3.240(27.51) | 180 | 6.480(13.65) | 140 | Sinhalite | MgAlBO4 |
4.280(20.74) | 200 | 4.420(20.07) | 180 | 5.200(17.04) | 140 | Palladoarsenide | Pd2As |
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 | 5.100(17.37) | 160 | 6.060(14.61) | 140 | Stutzite | Ag5-xTe3,(x=0.24-0.36) |
4.320(20.54) | 200 | 7.860(11.25) | 150 | 5.560(15.93) | 126 | Antarcticite | CaCl2·6(H2O) |
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 | 3.944(22.52) | 140 | 4.200(21.14) | 140 | Schreibersite | (Fe,Ni)3P |
4.380(20.26) | 200 | 4.180(21.24) | 160 | 3.120(28.59) | 100 | Cesarolite | PbH2Mn++++3O8 |
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 | 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 | 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 | 3.972(22.36) | 80 | 5.000(17.72) | 80 | Palarstanide | Pd8(Sn,As)3 |
4.440(19.98) | 200 | 5.040(17.58) | 84 | 5.960(14.85) | 50 | Kolymite | Cu7Hg6 |
4.440(19.98) | 200 | 5.960(14.85) | 200 | 11.480(7.69) | 180 | Svanbergite | SrAl3(PO4)(SO4)(OH)6 |
4.440(19.98) | 200 | 5.420(16.34) | 200 | 4.580(19.36) | 160 | Marokite | CaMn+++2O4 |
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 | 13.460(6.56) | 140 | 5.950(14.88) | 120 | Parasibirskite | Ca2B2O5·(H2O) |
4.474(19.83) | 200 | 4.134(21.48) | 160 | 4.852(18.27) | 140 | Rhodarsenide | (Rh,Pd)2As |
4.474(19.83) | 200 | 2.612(34.30) | 100 | 4.180(21.24) | 80 | Telluropalladinite | Pd9Te4 |
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 | 3.890(22.84) | 84 | 2.752(32.51) | 50 | Palladium | Pd,Pt |
4.492(19.75) | 200 | 6.144(14.40) | 200 | 4.224(21.01) | 160 | Laitakarite | Bi4(Se,S)3 |
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 |
4.504(19.69) | 200 | 4.544(19.52) | 200 | 3.474(25.62) | 190 | Chondrodite | (Mg,Fe++)5(SiO4)2(F,OH)2 |
4.512(19.66) | 200 | 2.958(30.19) | 140 | 4.876(18.18) | 140 | Humite | (Mg,Fe++)7(SiO4)3(F,OH)2 |
4.520(19.62) | 200 | 4.320(20.54) | 180 | 1.582(58.27) | 80 | Keithconnite | Pd3-xTe(x=0.14 to 0.43) |
4.520(19.62) | 200 | 6.140(14.41) | 200 | 4.220(21.03) | 180 | Sobolevskite | PdBi |
4.527(19.59) | 200 | 6.015(14.71) | 180 | 3.881(22.90) | 120 | Ungavaite | Pd4Sb3 |
4.530(19.58) | 200 | 6.040(14.65) | 180 | 3.868(22.97) | 120 | Genkinite | (Pt,Pd)4Sb3 |
4.530(19.58) | 200 | 3.924(22.64) | 106 | 2.365(38.02) | 66 | Platinum | Pt |
4.534(19.56) | 200 | 2.526(35.51) | 120 | 4.808(18.44) | 120 | Paraschachnerite | Ag3Hg2 |
4.534(19.56) | 200 | 5.448(16.26) | 158 | 3.568(24.93) | 140 | Apatite-(CaOH)-M | (Ca,Na)5[(P,S)O4]3(OH,Cl) |
4.538(19.55) | 200 | 7.440(11.89) | 190 | 4.518(19.63) | 190 | Hydroxylclinohumite | Mg9(SiO4)4(OH,F)2 |
4.546(19.51) | 200 | 1.719(53.24) | 120 | 4.840(18.31) | 100 | Schachnerite | Ag1.1Hg0.9 |
4.558(19.46) | 200 | 4.342(20.44) | 180 | 4.464(19.87) | 130 | Mertieite-I | Pd11(Sb,As)4 |
4.560(19.45) | 200 | 4.320(20.54) | 140 | 3.910(22.72) | 100 | Paolovite | Pd2Sn |
4.562(19.44) | 200 | 6.650(13.30) | 160 | 3.590(24.78) | 156 | Malladrite | Na2SiF6 |
4.566(19.42) | 200 | 4.326(20.51) | 80 | 2.738(32.68) | 60 | Tatyanaite | (Pt,Pd,Cu)9Cu3Sn4 |
4.580(19.36) | 200 | 16.000(5.52) | 200 | 27.400(3.22) | 200 | Connellite | Cu19Cl4(SO4)(OH)32·3(H2O) |
4.580(19.36) | 200 | 2.740(32.65) | 80 | 4.840(18.31) | 80 | Dyscrasite | Ag3Sb |
4.580(19.36) | 200 | 4.340(20.45) | 180 | 2.460(36.49) | 160 | Cabriite | Pd2SnCu |
4.584(19.35) | 200 | 6.200(14.27) | 200 | 4.222(21.02) | 150 | Tetradymite | Bi2Te2S |
4.584(19.35) | 200 | 6.628(13.35) | 200 | 11.014(8.02) | 200 | Diaboleite | Pb2CuCl2(OH)4 |
4.596(19.30) | 200 | 3.836(23.17) | 146 | 4.188(21.20) | 138 | Monipite | MoNiP |
4.600(19.28) | 200 | 4.460(19.89) | 160 | 2.386(37.67) | 140 | Tongbaite | Cr3C2 |
4.600(19.28) | 200 | 2.406(37.34) | 160 | 3.980(22.32) | 120 | Yixunite | Pt3In |
4.600(19.28) | 200 | 3.456(25.76) | 180 | 5.600(15.81) | 160 | Amakinite | (Fe++,Mg)(OH)2 |
4.600(19.28) | 200 | 6.680(13.24) | 200 | 7.120(12.42) | 160 | Alamosite | PbSiO3 |
4.600(19.28) | 200 | 4.800(18.47) | 200 | 5.400(16.40) | 200 | Bornhardtite | Co++Co+++2Se4 |
4.602(19.27) | 200 | 9.240(9.56) | 150 | 4.310(20.59) | 108 | Demartinite | K2[SiF6] |
4.602(19.27) | 200 | 4.376(20.28) | 176 | 4.614(19.22) | 94 | Florenskyite | (Fe,Ni)TiP |
4.610(19.24) | 200 | 5.414(16.36) | 160 | 5.204(17.02) | 140 | Franklinfurnaceite | Ca2(Fe+++,Al)Mn+++Mn++3Zn2Si2O10(OH)8 |
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