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Minerals Arranged by X-Ray Powder Diffraction
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 |
| 2.230(40.41) | 100 | 1.920(47.30) | 70 | 1.940(46.79) | 70 | Auricupride | Cu3Au |
| 2.230(40.41) | 100 | 2.300(39.13) | 100 | 1.207(79.31) | 60 | Plumbopalladinite | Pd3Pb2 |
| 2.230(40.41) | 100 | 1.940(46.79) | 70 | 1.920(47.30) | 70 | Auricupride | Cu3Au |
| 2.230(40.41) | 100 | 2.180(41.38) | 100 | 2.670(33.54) | 100 | Kotoite | Mg3B2O6 |
| 2.232(40.38) | 100 | 2.485(36.12) | 90 | 2.083(43.41) | 90 | Palladobismutharsenide | Pd2(As,Bi) |
| 2.232(40.38) | 100 | 2.083(43.41) | 90 | 2.485(36.12) | 90 | Palladobismutharsenide | Pd2(As,Bi) |
| 2.233(40.36) | 100 | 2.045(44.25) | 68 | 1.923(47.23) | 42 | Barringerite | (Fe,Ni)2P |
| 2.237(40.28) | 100 | 2.067(43.76) | 80 | 2.426(37.02) | 70 | Rhodarsenide | (Rh,Pd)2As |
| 2.237(40.28) | 100 | 6.730(13.14) | 70 | 2.975(30.01) | 60 | Parasibirskite | Ca2B2O5•(H2O) |
| 2.237(40.28) | 100 | 1.306(72.29) | 50 | 2.090(43.25) | 40 | Telluropalladinite | Pd9Te4 |
| 2.238(40.26) | 100 | 2.970(30.06) | 90 | 3.150(28.31) | 80 | Jordanite | Pb14(As,Sb)6S23 |
| 2.238(40.26) | 100 | 2.120(42.61) | 80 | 2.073(43.63) | 70 | Allabogdanite | (Fe,Ni)2P |
| 2.240(40.23) | 100 | 1.819(50.11) | 100 | 3.170(28.13) | 100 | Argentite | Ag2S |
| 2.240(40.23) | 100 | 2.364(38.03) | 30 | 1.331(70.72) | 30 | Titanium | Ti |
| 2.240(40.23) | 100 | 1.331(70.72) | 30 | 2.364(38.03) | 30 | Titanium | Ti |
| 2.240(40.23) | 100 | 1.195(80.27) | 100 | 0.797(150.24) | 90 | Tetra-auricupride | AuCu |
| 2.241(40.21) | 100 | 1.708(53.61) | 92 | 2.743(32.62) | 77 | Pertsevite | Mg2(BO3)F |
| 2.241(40.21) | 100 | 4.210(21.08) | 100 | 1.726(53.01) | 75 | Gatumbaite | CaAl2(PO4)2(OH)2•(H2O) |
| 2.243(40.17) | 100 | 0.940(110.06) | 90 | 1.359(69.05) | 80 | Weishanite | (Au,Ag)3Hg2 |
| 2.245(40.13) | 100 | 0.858(127.73) | 56 | 2.057(43.98) | 52 | Naldretteite | Pd2Sb |
| 2.246(40.11) | 100 | 3.072(29.04) | 100 | 2.112(42.78) | 80 | Laitakarite | Bi4(Se,S)3 |
| 2.246(40.11) | 100 | 1.945(46.66) | 42 | 1.376(68.08) | 25 | Palladium | Pd,Pt |
| 2.250(40.04) | 70 | 1.819(50.11) | 70 | 4.740(18.70) | 70 | Fullerite | C60 |
| 2.250(40.04) | 100 | 1.299(72.74) | 80 | 1.920(47.30) | 60 | Damiaoite | PtIn2 |
| 2.251(40.02) | 100 | 3.093(28.84) | 40 | 2.127(42.46) | 20 | Poubaite | PbBi2Se2(Te,S)2 |
| 2.252(4-) | 100 | 2.272(39.64) | 100 | 1.737(52.65) | 95 | Chondrodite | (Mg,Fe++)5(SiO4)2(F,OH)2 |
| 2.256(39.93) | 100 | 1.479(62.77) | 70 | 2.438(36.84) | 70 | Humite | (Mg,Fe++)7(SiO4)3(F,OH)2 |
| 2.256(39.93) | 100 | 2.438(36.84) | 70 | 1.479(62.77) | 70 | Humite | (Mg,Fe++)7(SiO4)3(F,OH)2 |
| 2.259(39.87) | 100 | 2.078(43.52) | 100 | 2.702(33.13) | 90 | Kutinaite | Cu14Ag6As7 |
| 2.260(39.86) | 100 | 3.070(29.06) | 100 | 2.110(42.82) | 90 | Sobolevskite | PdBi |
| 2.260(39.86) | 100 | 2.160(41.78) | 90 | 0.791(153.71) | 40 | Keithconnite | Pd3-xTe(x=0.14 to 0.43) |
| 2.263(39.80) | 100 | 3.008(29.67) | 90 | 1.940(46.79) | 60 | Ungavaite | Pd4Sb3 |
| 2.265(39.76) | 100 | 1.962(46.23) | 53 | 1.183(81.25) | 33 | Platinum | Pt |
| 2.265(39.76) | 100 | 3.020(29.55) | 90 | 1.934(46.94) | 60 | Genkinite | (Pt,Pd)4Sb3 |
| 2.267(39.73) | 100 | 1.263(75.16) | 60 | 2.404(37.38) | 60 | Paraschachnerite | Ag3Hg2 |
| 2.267(39.73) | 100 | 2.724(32.85) | 79 | 1.784(51.16) | 70 | Apatite-(CaOH)-M | (Ca,Na)5[(P,S)O4]3(OH,Cl) |
| 2.267(39.73) | 100 | 2.404(37.38) | 60 | 1.263(75.16) | 60 | Paraschachnerite | Ag3Hg2 |
| 2.269(39.69) | 100 | 3.720(23.90) | 95 | 2.259(39.87) | 95 | Hydroxylclinohumite | Mg9(SiO4)4(OH,F)2 |
| 2.269(39.69) | 100 | 2.259(39.87) | 95 | 3.720(23.90) | 95 | Hydroxylclinohumite | Mg9(SiO4)4(OH,F)2 |
| 2.270(39.67) | 100 | 2.200(40.99) | 100 | 1.580(58.36) | 70 | Stannopalladinite | (Pd,Cu)3Sn2 (?) |
| 2.270(39.67) | 100 | 2.194(41.11) | 100 | 1.577(58.48) | 50 | Stibiopalladinite | Pd5Sb2 |
| 2.272(39.64) | 100 | 2.252(4-) | 100 | 1.737(52.65) | 95 | Chondrodite | (Mg,Fe++)5(SiO4)2(F,OH)2 |
| 2.273(39.62) | 100 | 0.860(127.19) | 60 | 2.420(37.12) | 50 | Schachnerite | Ag1.1Hg0.9 |
| 2.279(39.51) | 100 | 2.171(41.56) | 90 | 2.232(40.38) | 65 | Mertieite-I | Pd11(Sb,As)4 |
| 2.280(39.49) | 100 | 2.160(41.78) | 70 | 1.955(46.41) | 50 | Paolovite | Pd2Sn |
| 2.281(39.47) | 100 | 3.325(26.79) | 80 | 1.795(50.82) | 78 | Malladrite | Na2SiF6 |
| 2.283(39.44) | 100 | 2.163(41.72) | 40 | 1.369(68.48) | 30 | Tatyanaite | (Pt,Pd,Cu)9Cu3Sn4 |
| 2.290(39.31) | 100 | 2.420(37.12) | 40 | 1.370(68.42) | 40 | Dyscrasite | Ag3Sb |
| 2.290(39.31) | 100 | 13.700(6.45) | 100 | 8.000(11.05) | 100 | Connellite | Cu19Cl4(SO4)(OH)32•3(H2O) |
| 2.290(39.31) | 100 | 1.370(68.42) | 40 | 2.420(37.12) | 40 | Dyscrasite | Ag3Sb |
| 2.290(39.31) | 100 | 2.170(41.58) | 90 | 1.230(77.55) | 80 | Cabriite | Pd2SnCu |
| 2.290(39.31) | 100 | 8.000(11.05) | 100 | 13.700(6.45) | 100 | Connellite | Cu19Cl4(SO4)(OH)32•3(H2O) |
| 2.292(39.28) | 100 | 5.507(16.08) | 100 | 3.314(26.88) | 100 | Diaboleite | Pb2CuCl2(OH)4 |
| 2.292(39.28) | 100 | 3.100(28.77) | 100 | 2.111(42.80) | 75 | Tetradymite | Bi2Te2S |
| 2.292(39.28) | 100 | 3.314(26.88) | 100 | 5.507(16.08) | 100 | Diaboleite | Pb2CuCl2(OH)4 |
| 2.295(39.22) | 100 | 1.202(79.71) | 100 | 1.408(66.33) | 90 | Rustenburgite | (Pt,Pd)3Sn |
| 2.295(39.22) | 100 | 1.202(79.71) | 100 | 1.408(66.33) | 90 | Atokite | (Pd,Pt)3Sn |
| 2.298(39.17) | 100 | 1.918(47.36) | 73 | 2.094(43.17) | 69 | Monipite | MoNiP |
| 2.300(39.13) | 100 | 2.230(40.41) | 80 | 1.193(80.43) | 70 | Tongbaite | Cr3C2 |
| 2.300(39.13) | 100 | 2.230(40.41) | 100 | 1.207(79.31) | 60 | Plumbopalladinite | Pd3Pb2 |
| 2.300(39.13) | 100 | 2.700(33.15) | 100 | 2.400(37.44) | 100 | Bornhardtite | Co++Co+++2Se4 |
| 2.300(39.13) | 100 | 1.203(79.63) | 80 | 1.990(45.55) | 60 | Yixunite | Pt3In |
| 2.300(39.13) | 100 | 2.400(37.44) | 100 | 2.700(33.15) | 100 | Bornhardtite | Co++Co+++2Se4 |
| 2.300(39.13) | 100 | 1.728(52.94) | 90 | 2.800(31.94) | 80 | Amakinite | (Fe++,Mg)(OH)2 |
| 2.300(39.13) | 100 | 3.340(26.67) | 100 | 3.560(24.99) | 80 | Alamosite | PbSiO3 |
| 2.301(39.12) | 100 | 2.188(41.23) | 88 | 2.307(39.01) | 47 | Florenskyite | (Fe,Ni)TiP |
| 2.301(39.12) | 100 | 4.620(19.20) | 75 | 2.155(41.89) | 54 | Demartinite | K2[SiF6] |
| 2.305(39.05) | 100 | 2.707(33.06) | 80 | 2.602(34.44) | 70 | Franklinfurnaceite | Ca2(Fe+++,Al)Mn+++Mn++3Zn2Si2O10(OH)8 |
| 2.308(38.99) | 100 | 4.610(19.24) | 80 | 1.746(52.36) | 60 | Muskoxite | Mg7Fe+++4O13•10(H2O) |
| 2.310(38.96) | 100 | 2.870(31.14) | 80 | 2.250(40.04) | 70 | Hessite | Ag2Te |
| 2.310(38.96) | 100 | 1.916(47.41) | 100 | 2.047(44.21) | 99 | Ekaterinite | Ca2B4O7(Cl,OH)2•2(H2O) |
| 2.314(38.89) | 100 | 2.119(42.63) | 100 | 1.991(45.52) | 70 | Oregonite | Ni2FeAs2 |
| 2.315(38.87) | 100 | 4.700(18.87) | 90 | 3.520(25.28) | 90 | Cookeite | LiAl4(Si3Al)O10(OH)8 |
| 2.315(38.87) | 100 | 3.430(25.96) | 70 | 2.810(31.82) | 40 | Averievite | Cu5(VO4)2O2•CuCl2 |
| 2.315(38.87) | 100 | 3.520(25.28) | 90 | 4.700(18.87) | 90 | Cookeite | LiAl4(Si3Al)O10(OH)8 |
| 2.315(38.87) | 100 | 1.207(79.31) | 90 | 2.011(45.04) | 80 | Zvyagintsevite | Pd3Pb |
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