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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.
|
Selected X-Ray λ |
Change X-Ray λ |
D1 Å |
D2 Å |
D3 Å |
Tolerance % |
Elements |
|---|
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 3.685(24.13) | 100 | 3.170(28.13) | 95 | 1.426(65.39) | 80 | Phosphoellenbergerite | Mg14(PO4)6(PO3OH,CO3)2(OH)6 |
| 3.685(24.13) | 100 | 1.426(65.39) | 95 | 1.555(59.39) | 80 | Phosphoellenbergerite | Mg14(PO4)6(PO3OH,CO3)2(OH)6 |
| 3.686(24.12) | 100 | 3.609(24.65) | 49 | 2.669(33.55) | 42 | Challacolloite | KPb2Cl5 |
| 3.688(24.11) | 100 | 3.298(27.01) | 100 | 4.820(18.39) | 80 | Afghanite | (Na,Ca,K)8(Si,Al)12O24(SO4,Cl,CO3)3•(H2O) |
| 3.690(24.10) | 100 | 3.290(27.08) | 100 | 4.810(18.43) | 100 | Microsommite | (Na,Ca,K)7-8(Si,Al)12O24(Cl,SO4)2-3 |
| 3.690(24.10) | 100 | 2.676(33.46) | 100 | 7.381(11.98) | 100 | Srebrodolskite | Ca2Fe+++2O5 |
| 3.690(24.10) | 100 | 8.300(10.65) | 90 | 2.921(30.58) | 90 | Godovikovite | (NH4)(Al,Fe+++)(SO4)2 |
| 3.690(24.10) | 100 | 2.921(30.58) | 90 | 8.300(10.65) | 90 | Godovikovite | (NH4)(Al,Fe+++)(SO4)2 |
| 3.691(24.09) | 100 | 2.639(33.94) | 73 | 3.587(24.80) | 70 | IMA2008-006 | [Na82.5Ca33K16.5](Si99Al99O396)(SO4)33•4H2O |
| 3.694(24.07) | 100 | 2.960(30.17) | 100 | 2.753(32.50) | 100 | Chladniite | Na2Ca(Mg,Fe++)7(PO4)6 |
| 3.696(24.06) | 100 | 3.971(22.37) | 83 | 2.109(42.84) | 45 | Hephaistosite | TlPb2Cl5 |
| 3.698(24.05) | 100 | 2.838(31.50) | 99 | 2.994(29.82) | 96 | Paradamite | Zn2(AsO4)(OH) |
| 3.700(24.03) | 100 | 6.040(14.65) | 80 | 5.080(17.44) | 80 | Kolwezite | (Cu,Co)2(CO3)(OH)2 |
| 3.700(24.03) | 100 | 4.210(21.08) | 80 | 4.090(21.71) | 60 | Cyanochroite | K2Cu(SO4)2•6(H2O) |
| 3.700(24.03) | 100 | 5.080(17.44) | 80 | 6.040(14.65) | 80 | Kolwezite | (Cu,Co)2(CO3)(OH)2 |
| 3.706(23.99) | 100 | 4.064(21.85) | 95 | 4.156(21.36) | 85 | Picromerite | K2Mg(SO4)2•6(H2O) |
| 3.707(23.99) | 100 | 2.088(43.30) | 70 | 2.309(38.97) | 50 | Wakefieldite-(La) | LaVO4 |
| 3.707(23.99) | 100 | 2.623(34.15) | 70 | 2.088(43.30) | 50 | Wakefieldite-(La) | LaVO4 |
| 3.708(23.98) | 100 | 5.094(17.39) | 80 | 2.601(34.45) | 70 | Rosasite | (Cu,Zn)2(CO3)(OH)2 |
| 3.708(23.98) | 100 | 2.917(30.62) | 70 | 3.498(25.44) | 64 | Slawsonite | (Sr,Ca)Al2Si2O8 |
| 3.710(23.97) | 100 | 2.960(30.17) | 100 | 4.340(20.45) | 100 | Ancylite-(Ce) | SrCe(CO3)2(OH)•(H2O) |
| 3.710(23.97) | 100 | 3.310(26.91) | 100 | 4.850(18.28) | 70 | Quadridavyne | (Na,K)6Ca2Al6Si6O24Cl4 |
| 3.710(23.97) | 100 | 2.970(30.06) | 80 | 3.333(26.72) | 60 | Jaskolskiite | Pb2+xCux(Sb,Bi)2-xS5, x=0.2 |
| 3.710(23.97) | 100 | 8.550(10.34) | 100 | 5.410(16.37) | 90 | Metaheinrichite | Ba(UO2)2(AsO4)2•8(H2O) |
| 3.710(23.97) | 100 | 2.620(34.20) | 80 | 2.870(31.14) | 45 | Lazurite | Na3Ca(Al3Si3O12)S |
| 3.710(23.97) | 100 | 2.628(34.09) | 75 | 6.450(13.72) | 70 | Nosean | Na8Al6Si6O24(SO4) |
| 3.711(23.96) | 100 | 3.314(26.88) | 80 | 4.842(18.31) | 40 | Tounkite | (Na,Ca,K)8Al6Si6O24(SO4)2Cl•(H2O) |
| 3.712(23.95) | 100 | 3.446(25.83) | 80 | 3.126(28.53) | 70 | Giuseppettite | [Na42K16Ca6]S64Si48Al48O192(SO4)10Cl2•5H2O |
| 3.715(23.93) | 100 | 3.315(26.87) | 75 | 4.840(18.31) | 36 | Liottite | (Ca,Na,K)8(Si,Al)12O24[(SO4),(CO3),Cl,OH]4•(H2O) |
| 3.720(23.90) | 100 | 3.510(25.35) | 100 | 2.920(30.59) | 100 | Neyite | AgCu3Pb12.5Bi13S34 |
| 3.720(23.90) | 100 | 3.840(23.14) | 100 | 3.410(26.11) | 40 | Liberite | Li2BeSiO4 |
| 3.720(23.90) | 100 | 3.350(26.59) | 90 | 3.170(28.13) | 90 | Bellingerite | Cu++3(IO3)6•2(H2O) |
| 3.720(23.90) | 100 | 2.630(34.06) | 50 | 6.450(13.72) | 30 | Hauyne | (Na,Ca)4-8Al6Si6(O,S)24(SO4,Cl)1-2 |
| 3.720(23.90) | 100 | 2.742(32.63) | 75 | 3.320(26.83) | 40 | Benitoite | BaTiSi3O9 |
| 3.720(23.90) | 100 | 2.910(30.70) | 80 | 1.950(46.53) | 50 | Archerite | (K,NH4)H2PO4 |
| 3.720(23.90) | 100 | 3.170(28.13) | 90 | 3.350(26.59) | 90 | Bellingerite | Cu++3(IO3)6•2(H2O) |
| 3.720(23.90) | 100 | 3.300(27.00) | 47 | 11.070(7.98) | 19 | Biachellaite | (Na,Ca,K)8(Si6Al6O24)(SO4)2(OH)0.5•H2O |
| 3.720(23.90) | 100 | 3.313(26.89) | 90 | 3.919(22.67) | 80 | Bystrite | (Na,K)7Ca(Si6Al6)O24S4.5•(H2O) |
| 3.720(23.90) | 100 | 3.590(24.78) | 43 | 3.810(23.33) | 42 | Franzinite | [(Na,K)30Ca10][Si30Al30O120](SO4)10•2(H2O) |
| 3.720(23.90) | 100 | 3.680(24.16) | 53 | 2.150(41.99) | 28 | Witherite | BaCO3 |
| 3.720(23.90) | 100 | 2.150(41.99) | 85 | 3.290(27.08) | 75 | Cadmoselite | CdSe |
| 3.722(23.89) | 100 | 3.485(25.54) | 65 | 3.119(28.60) | 36 | Farneseite | (Na37K9Ca10)S56(Si42Al42)S84O168(SO4)12•6(H2O) |
| 3.723(23.88) | 100 | 3.123(28.56) | 100 | 2.641(33.91) | 80 | Magnesiochlorophoenicite | (Mg,Mn)3Zn2(AsO4)(OH,O)6 |
| 3.723(23.88) | 100 | 4.013(22.13) | 90 | 6.800(13.01) | 80 | Jurbanite | Al(SO4)(OH)•5(H2O) |
| 3.725(23.87) | 100 | 3.513(25.33) | 80 | 4.200(21.14) | 42 | Marinellite | [(Na,K)42Ca6](Si36Al36O144)(SO4)8Cl2•6(H2O) |
| 3.730(23.84) | 100 | 2.774(32.24) | 100 | 3.230(27.59) | 90 | Merrihueite | (K,Na)2(Fe++,Mg)5Si12O30 |
| 3.730(23.84) | 100 | 2.296(39.20) | 85 | 3.980(22.32) | 60 | Iodargyrite | AgI |
| 3.730(23.84) | 100 | 1.833(49.70) | 90 | 2.890(30.92) | 70 | Hugelite | Pb2(UO2)3(AsO4)2(OH)4•3(H2O) |
| 3.730(23.84) | 100 | 2.570(34.88) | 80 | 2.850(31.36) | 70 | Dmisteinbergite | CaAl2Si2O8 |
| 3.730(23.84) | 100 | 3.060(29.16) | 90 | 1.833(49.70) | 70 | Hugelite | Pb2(UO2)3(AsO4)2(OH)4•3(H2O) |
| 3.730(23.84) | 100 | 3.140(28.40) | 80 | 3.310(26.91) | 60 | Penfieldite | Pb2Cl3(OH) |
| 3.730(23.84) | 100 | 3.483(25.55) | 43 | 2.648(33.82) | 30 | Sacrofanite | (Na,Ca,K)9Si6Al6O24[(OH),(SO4),(CO3),Cl)]4•n(H2O) |
| 3.730(23.84) | 100 | 8.860(9.98) | 100 | 5.570(15.90) | 80 | Metazeunerite | Cu(UO2)2(AsO4)2•8(H2O) |
| 3.731(23.83) | 100 | 3.218(27.70) | 45 | 3.025(29.50) | 40 | Boulangerite | Pb5Sb4S11 |
| 3.731(23.83) | 100 | 3.672(24.22) | 34 | 3.649(24.37) | 24 | Petalite | LiAlSi4O10 |
| 3.734(23.81) | 100 | 2.750(32.53) | 60 | 1.900(47.83) | 53 | Falkmanite | Pb5Sb4S11 |
| 3.740(23.77) | 100 | 1.669(54.97) | 70 | 2.630(34.06) | 60 | Sohngeite | Ga(OH)3 |
| 3.740(23.77) | 100 | 2.290(39.31) | 90 | 1.949(46.56) | 70 | Coloradoite | HgTe |
| 3.740(23.77) | 100 | 3.000(29.76) | 90 | 2.700(33.15) | 80 | Dufrenoysite | Pb2As2S5 |
| 3.740(23.77) | 100 | 3.350(26.59) | 90 | 3.240(27.51) | 80 | Bavenite | Ca4Be2Al2Si9O26(OH)2 |
| 3.741(23.76) | 100 | 14.973(5.90) | 90 | 2.534(35.39) | 90 | Theisite | Cu5Zn5[(As+++++,Sb+++++)O4]2(OH)14 |
| 3.741(23.76) | 100 | 2.534(35.39) | 90 | 14.973(5.90) | 90 | Theisite | Cu5Zn5[(As+++++,Sb+++++)O4]2(OH)14 |
| 3.745(23.74) | 100 | 6.829(12.95) | 90 | 3.692(24.08) | 60 | Planerite | Al6(PO4)2(PO3OH)2(OH)8•4(H2O) |
| 3.749(23.71) | 100 | 3.596(24.74) | 77 | 2.903(30.77) | 69 | Medenbachite | Bi2Fe+++(Cu,Fe+++)(O,OH)2(OH)2(AsO4)2 |
| 3.750(23.71) | 100 | 8.830(10.01) | 100 | 3.020(29.55) | 90 | Haigerachite | KFe+++3(H2PO4)6(HPO4)2•4(H2O) |
| 3.750(23.71) | 100 | 5.240(16.91) | 90 | 3.020(29.55) | 90 | Biphosphammite | (NH4,K)H2PO4 |
| 3.750(23.71) | 100 | 3.240(27.51) | 100 | 5.080(17.44) | 100 | Chayesite | K(Mg,Fe++)4Fe+++(Si12O30) |
| 3.750(23.71) | 100 | 3.020(29.55) | 90 | 5.240(16.91) | 90 | Biphosphammite | (NH4,K)H2PO4 |
| 3.750(23.71) | 100 | 3.110(28.68) | 94 | 2.360(38.10) | 82 | Zhangpeishanite | BaFCl |
| 3.752(23.69) | 100 | 4.630(19.15) | 90 | 3.350(26.59) | 80 | Drugmanite | Pb2(Fe+++,Al)H(PO4)2(OH)2 |
| 3.753(23.69) | 100 | 2.901(30.80) | 96 | 2.666(33.59) | 72 | Cobaltneustadtelite | Bi2Fe+++(Co,Fe+++)(O,OH)2(OH)2(AsO4)2 |
| 3.754(23.68) | 100 | 2.909(30.71) | 15 | 3.915(22.69) | 10 | Yeelimite | Ca4Al6O12(SO4) |
| 3.755(23.67) | 100 | 3.920(22.66) | 100 | 6.071(14.58) | 100 | Pentagonite | Ca(VO)Si4O10•4(H2O) |
| 3.755(23.67) | 100 | 6.071(14.58) | 100 | 3.920(22.66) | 100 | Pentagonite | Ca(VO)Si4O10•4(H2O) |
| 3.759(23.65) | 100 | 2.591(34.59) | 67 | 2.773(32.26) | 57 | Szenicsite | Cu3MoO4(OH)4 |
| 3.760(23.64) | 100 | 14.300(6.18) | 100 | 5.660(15.64) | 100 | Faujasite-Na | (Na2,Ca,Mg)3.5[Al7Si17O48]•32(H2O) |
| 3.760(23.64) | 100 | 14.300(6.18) | 100 | 5.660(15.64) | 100 | Faujasite-Mg | (Mg,Na2,Ca)3.5[Al7Si17O48]•32(H2O) |
| 3.760(23.64) | 100 | 7.270(12.16) | 100 | 3.030(29.45) | 100 | Laplandite-(Ce) | Na4CeTiPSi7O22•5(H2O) |
| 3.760(23.64) | 100 | 5.660(15.64) | 100 | 14.300(6.18) | 100 | Faujasite-Ca | (Ca,Na2,Mg)3.5[Al7Si17O48]•32(H2O) |
| 3.760(23.64) | 100 | 5.660(15.64) | 100 | 14.300(6.18) | 100 | Faujasite-Na | (Na2,Ca,Mg)3.5[Al7Si17O48]•32(H2O) |
| 3.760(23.64) | 100 | 5.660(15.64) | 100 | 14.300(6.18) | 100 | Faujasite-Mg | (Mg,Na2,Ca)3.5[Al7Si17O48]•32(H2O) |
| 3.760(23.64) | 100 | 14.300(6.18) | 100 | 5.660(15.64) | 100 | Faujasite-Ca | (Ca,Na2,Mg)3.5[Al7Si17O48]•32(H2O) |
| 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 | 1.892(48.05) | 100 | 1.870(48.65) | 80 | Osarsite | (Os,Ru)AsS |
| 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 | 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 | 2.800(31.94) | 100 | 5.850(15.13) | 35 | Bazirite | BaZrSi3O9 |
| 3.800(23.39) | 100 | 3.250(27.42) | 100 | 3.450(25.80) | 90 | Molybdite | MoO3 |
| 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) |