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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 |
| 3.767(23.60) | 100 | 2.655(33.73) | 80 | 1.687(54.34) | 70 | Stottite | Fe++Ge(OH)6 |
| 3.769(23.59) | 100 | 2.640(33.93) | 65 | 3.066(29.10) | 51 | Sanromanite | Na2CaPb3(CO3)5 |
| 3.769(23.59) | 100 | 3.848(23.09) | 100 | 3.656(24.33) | 86 | Krasnogorite | WO3 |
| 3.770(23.58) | 100 | 2.780(32.17) | 90 | 3.370(26.43) | 50 | Pabstite | Ba(Sn,Ti)Si3O9 |
| 3.770(23.58) | 100 | 2.900(30.81) | 90 | 2.930(30.48) | 80 | Kapitsaite-(Y) | (Ba,K,Pb,Na)4(Y,Ca,REE)2[Si8B2(B,Si)2O28F] |
| 3.770(23.58) | 100 | 3.390(26.27) | 70 | 3.020(29.55) | 60 | Chalcosiderite | CuFe+++6(PO4)4(OH)8•4(H2O) |
| 3.773(23.56) | 100 | 2.113(42.76) | 93 | 3.846(23.11) | 40 | Steropesite | Tl3BiCl6 |
| 3.780(23.52) | 100 | 3.730(23.84) | 56 | 3.033(29.42) | 55 | Niter | KNO3 |
| 3.780(23.52) | 100 | 2.780(32.17) | 100 | 2.610(34.33) | 100 | Hanksite | KNa22(SO4)9(CO3)2Cl |
| 3.784(23.49) | 100 | 1.692(54.16) | 17 | 2.393(37.55) | 16 | Bernalite | Fe(OH)3 |
| 3.785(23.48) | 100 | 7.630(11.59) | 100 | 1.825(49.93) | 20 | Quintinite-2H | Mg4Al2(OH)12CO3•4(H2O) |
| 3.790(23.45) | 100 | 11.940(7.40) | 65 | 3.610(24.64) | 40 | Terranovaite | (Na,Ca)8(Si68Al12)O160•29(H2O) |
| 3.790(23.45) | 100 | 1.892(48.05) | 100 | 1.870(48.65) | 80 | Osarsite | (Os,Ru)AsS |
| 3.790(23.45) | 100 | 10.160(8.70) | 65 | 11.940(7.40) | 40 | Terranovaite | (Na,Ca)8(Si68Al12)O160•29(H2O) |
| 3.797(23.41) | 100 | 3.638(24.45) | 47 | 2.775(32.23) | 35 | Santarosaite | CuB2O4 |
| 3.800(23.39) | 100 | 6.580(13.45) | 80 | 2.210(40.80) | 70 | Bellbergite | (K,Ba,Sr)2Sr2Ca2(Ca,Na)4Al18Si18O72•30(H2O) |
| 3.800(23.39) | 100 | 2.950(30.27) | 40 | 2.340(38.44) | 40 | Mozgovaite | PbBi4(S,Se)7 |
| 3.800(23.39) | 100 | 3.250(27.42) | 100 | 3.450(25.80) | 90 | Molybdite | MoO3 |
| 3.800(23.39) | 100 | 2.800(31.94) | 100 | 5.850(15.13) | 35 | Bazirite | BaZrSi3O9 |
| 3.800(23.39) | 100 | 2.340(38.44) | 40 | 2.950(30.27) | 40 | Mozgovaite | PbBi4(S,Se)7 |
| 3.800(23.39) | 100 | 9.020(9.80) | 100 | 3.260(27.33) | 90 | Uramphite | (NH4)(UO2)(PO4)•3(H2O) |
| 3.800(23.39) | 100 | 2.210(40.80) | 80 | 2.950(30.27) | 70 | Bellbergite | (K,Ba,Sr)2Sr2Ca2(Ca,Na)4Al18Si18O72•30(H2O) |
| 3.801(23.38) | 100 | 2.767(32.33) | 43 | 2.732(32.75) | 41 | Edenharterite | TlPbAs3S6 |
| 3.808(23.34) | 100 | 4.594(19.30) | 75 | 3.902(22.77) | 60 | Lokkaite-(Y) | CaY4(CO3)7•9(H2O) |
| 3.808(23.34) | 100 | 2.696(33.20) | 70 | 1.907(47.65) | 30 | Kimrobinsonite | Ta(OH)3(O,CO3) |
| 3.810(23.33) | 100 | 6.520(13.57) | 96 | 3.381(26.34) | 72 | Buddingtonite | (NH4)AlSi3O8•0.5(H2O) |
| 3.810(23.33) | 100 | 3.030(29.45) | 90 | 3.420(26.03) | 80 | Veenite | Pb2(Sb,As)2S5 |
| 3.811(23.32) | 100 | 2.858(31.27) | 75 | 2.745(32.59) | 50 | Nezilovite | PbZn2(Mn++++,Ti++++)2Fe+++8O19 |
| 3.820(23.27) | 100 | 2.680(33.41) | 60 | 3.010(29.65) | 60 | Cannizzarite | Pb4Bi6S13 |
| 3.820(23.27) | 100 | 3.130(28.49) | 90 | 4.530(19.58) | 80 | Hambergite | Be2BO3(OH) |
| 3.820(23.27) | 100 | 3.010(29.65) | 60 | 2.680(33.41) | 60 | Cannizzarite | Pb4Bi6S13 |
| 3.827(23.22) | 100 | 3.162(28.20) | 90 | 4.460(19.89) | 90 | Schuilingite-(Nd) | PbCu(Nd,Gd,Sm,Y)(CO3)3(OH)•1.5(H2O) |
| 3.827(23.22) | 100 | 4.460(19.89) | 90 | 3.162(28.20) | 90 | Schuilingite-(Nd) | PbCu(Nd,Gd,Sm,Y)(CO3)3(OH)•1.5(H2O) |
| 3.830(23.20) | 100 | 4.430(20.03) | 100 | 2.710(33.03) | 95 | Pseudoboleite | Pb5Cu4Cl10(OH)8•2(H2O) |
| 3.830(23.20) | 100 | 2.795(31.99) | 85 | 3.345(26.63) | 60 | Shibkovite | K(Ca,Mn,Na)2(K2-x,[ ]x)2ZnSi12O30 (x~0.8) |
| 3.830(23.20) | 100 | 2.710(33.03) | 70 | 1.710(53.55) | 60 | Jeanbandyite | (Fe+++,Mn++)Sn++++(OH)6 |
| 3.834(23.18) | 100 | 4.089(21.72) | 90 | 2.990(29.86) | 90 | Senegalite | Al2(PO4)(OH)3•(H2O) |
| 3.834(23.18) | 100 | 2.990(29.86) | 90 | 4.089(21.72) | 90 | Senegalite | Al2(PO4)(OH)3•(H2O) |
| 3.840(23.14) | 100 | 6.360(13.91) | 45 | 5.340(16.59) | 45 | Krauskopfite | BaSi2O4(OH)2•2(H2O) |
| 3.840(23.14) | 100 | 3.410(26.11) | 90 | 3.520(25.28) | 90 | Mercallite | KHSO4 |
| 3.840(23.14) | 100 | 1.720(53.21) | 90 | 1.570(58.76) | 80 | Vismirnovite | ZnSn++++(OH)6 |
| 3.840(23.14) | 100 | 3.410(26.11) | 90 | 3.260(27.33) | 90 | Mercallite | KHSO4 |
| 3.840(23.14) | 100 | 5.340(16.59) | 45 | 6.360(13.91) | 45 | Krauskopfite | BaSi2O4(OH)2•2(H2O) |
| 3.840(23.14) | 100 | 3.720(23.90) | 100 | 3.410(26.11) | 40 | Liberite | Li2BeSiO4 |
| 3.840(23.14) | 100 | 3.260(27.33) | 90 | 3.410(26.11) | 90 | Mercallite | KHSO4 |
| 3.840(23.14) | 100 | 2.510(35.74) | 59 | 2.770(32.29) | 46 | Chopinite | (Mg,Fe)3(PO4)2 |
| 3.842(23.13) | 100 | 3.203(27.83) | 84 | 9.440(9.36) | 80 | Agrellite | NaCa2Si4O10F |
| 3.846(23.11) | 100 | 3.511(25.35) | 90 | 3.192(27.93) | 90 | Cordylite-(Ce) | Ba(Ce,La)2(CO3)3F2 |
| 3.846(23.11) | 100 | 3.192(27.93) | 90 | 3.511(25.35) | 90 | Cordylite-(Ce) | Ba(Ce,La)2(CO3)3F2 |
| 3.847(23.10) | 100 | 3.080(28.97) | 90 | 3.268(27.27) | 80 | Weibullite | Pb6Bi8(S,Se)18 |
| 3.848(23.09) | 100 | 3.769(23.59) | 100 | 3.656(24.33) | 86 | Krasnogorite | WO3 |
| 3.850(23.08) | 100 | 7.720(11.45) | 100 | 8.410(10.51) | 80 | Arsenuranylite | Ca(UO2)4(AsO4)2(OH)4•6(H2O) |
| 3.850(23.08) | 100 | 3.750(23.71) | 98 | 11.200(7.89) | 84 | Mutinaite | Na3Ca4Si85Al11O192•60(H2O) |
| 3.850(23.08) | 100 | 2.880(31.03) | 100 | 5.730(15.45) | 50 | Cylindrite | Pb3Sn4FeSb2S14 |
| 3.850(23.08) | 100 | 4.160(21.34) | 100 | 5.800(15.26) | 80 | Lansfordite | MgCO3•5(H2O) |
| 3.850(23.08) | 100 | 3.210(27.77) | 60 | 3.440(25.88) | 40 | Sulfur | S8 |
| 3.852(23.07) | 100 | 5.036(17.60) | 100 | 9.120(9.69) | 100 | Sieleckiite | Cu3Al4(PO4)2(OH)12•2(H2O) |
| 3.852(23.07) | 100 | 9.120(9.69) | 100 | 5.036(17.60) | 100 | Sieleckiite | Cu3Al4(PO4)2(OH)12•2(H2O) |
| 3.862(23.01) | 100 | 3.273(27.22) | 100 | 7.960(11.11) | 100 | Krautite | MnAs+++++O3(OH)2•(H2O) |
| 3.870(22.96) | 100 | 3.290(27.08) | 100 | 4.810(18.43) | 90 | Halurgite | Mg2[B4O5(OH)4]2•(H2O) |
| 3.870(22.96) | 100 | 7.630(11.59) | 100 | 2.900(30.81) | 70 | Bismutoferrite | BiFe+++2(SiO4)2(OH) |
| 3.870(22.96) | 100 | 3.220(27.68) | 70 | 2.960(30.17) | 40 | Fuloppite | Pb3Sb8S15 |
| 3.879(22.91) | 100 | 2.621(34.18) | 63 | 14.883(5.93) | 46 | Kampfite | Ba12(Si11Al5)O31(CO3)8Cl5 |
| 3.880(22.90) | 100 | 11.600(7.61) | 100 | 5.830(15.18) | 100 | Kolovratite | Hydrous vanadate of Ni and Zn |
| 3.880(22.90) | 100 | 2.500(35.89) | 30 | 2.330(38.61) | 18 | Moolooite | Cu++(C2O4)•n(H2O) (n < 1) |
| 3.880(22.90) | 100 | 2.700(33.15) | 80 | 2.788(32.08) | 30 | Hectorfloresite | Na9(IO3)(SO4)4 |
| 3.880(22.90) | 100 | 2.740(32.65) | 50 | 1.729(52.91) | 35 | Mushistonite | (Cu,Zn,Fe)Sn++++(OH)6 |
| 3.880(22.90) | 100 | 2.795(31.99) | 94 | 2.636(33.98) | 69 | Tivanite | V+++TiO3(OH) |
| 3.880(22.90) | 100 | 3.330(26.75) | 80 | 2.690(33.28) | 60 | Shakhovite | Hg+4Sb+++++O3(OH)3 |
| 3.880(22.90) | 100 | 4.480(19.80) | 50 | 2.740(32.65) | 25 | Schoenfliesite | MgSn++++(OH)6 |
| 3.880(22.90) | 100 | 5.830(15.18) | 100 | 11.600(7.61) | 100 | Kolovratite | Hydrous vanadate of Ni and Zn |
| 3.890(22.84) | 100 | 2.550(35.16) | 100 | 2.810(31.82) | 80 | Fiedlerite | Pb3Cl4F(OH)2 |
| 3.892(22.83) | 100 | 2.820(31.70) | 90 | 2.685(33.34) | 80 | Fencooperite | Ba6Fe+++3Si8O23(CO3)2Cl3•H2O |
| 3.900(22.78) | 100 | 3.660(24.30) | 100 | 2.250(40.04) | 90 | Ice | H2O |
| 3.900(22.78) | 100 | 3.650(24.37) | 100 | 2.870(31.14) | 100 | Sahamalite-(Ce) | (Mg,Fe++)Ce2(CO3)4 |
| 3.900(22.78) | 100 | 3.840(23.14) | 71 | 5.900(15.00) | 36 | Abramovite | Pb2SnInBiS7 |
| 3.900(22.78) | 100 | 4.360(20.35) | 50 | 5.220(16.97) | 20 | Lovozerite | H4Na2Ca(Zr,Ti)[Si6O18] |
| 3.900(22.78) | 100 | 2.840(31.47) | 70 | 2.069(43.71) | 60 | Iridarsenite | (Ir,Ru)As2 |
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