X-Ray Diffraction Table

X-Ray Diffraction Table

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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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Listing of 100 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.724 AND d1 < 3.876)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
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 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 2.774(32.24) 100 3.230(27.59) 90 Merrihueite (K,Na)2(Fe++,Mg)5Si12O30
3.730(23.84) 100 8.860(9.98) 100 5.570(15.90) 80 Metazeunerite Cu(UO2)2(AsO4)2•8(H2O)
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 3.140(28.40) 80 3.310(26.91) 60 Penfieldite Pb2Cl3(OH)
3.730(23.84) 100 2.570(34.88) 80 2.850(31.36) 70 Dmisteinbergite CaAl2Si2O8
3.730(23.84) 100 2.296(39.20) 85 3.980(22.32) 60 Iodargyrite AgI
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)
3.731(23.83) 100 3.672(24.22) 34 3.649(24.37) 24 Petalite LiAlSi4O10
3.731(23.83) 100 3.218(27.70) 45 3.025(29.50) 40 Boulangerite Pb5Sb4S11
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 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
3.740(23.77) 100 2.290(39.31) 90 1.949(46.56) 70 Coloradoite HgTe
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 3.110(28.68) 94 2.360(38.10) 82 Zhangpeishanite BaFCl
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 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 3.020(29.55) 90 5.240(16.91) 90 Biphosphammite (NH4,K)H2PO4
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 6.071(14.58) 100 3.920(22.66) 100 Pentagonite Ca(VO)Si4O10•4(H2O)
3.755(23.67) 100 3.920(22.66) 100 6.071(14.58) 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-Ca (Ca,Na2,Mg)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 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 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 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 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-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 3.390(26.27) 70 3.020(29.55) 60 Chalcosiderite CuFe+++6(PO4)4(OH)8•4(H2O)
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 2.780(32.17) 90 3.370(26.43) 50 Pabstite Ba(Sn,Ti)Si3O9
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 10.160(8.70) 65 11.940(7.40) 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
3.797(23.41) 100 3.638(24.45) 47 2.775(32.23) 35 Santarosaite CuB2O4
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 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 2.210(40.80) 80 2.950(30.27) 70 Bellbergite (K,Ba,Sr)2Sr2Ca2(Ca,Na)4Al18Si18O72•30(H2O)
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 2.950(30.27) 40 2.340(38.44) 40 Mozgovaite PbBi4(S,Se)7
3.801(23.38) 100 2.767(32.33) 43 2.732(32.75) 41 Edenharterite TlPbAs3S6
3.808(23.34) 100 2.696(33.20) 70 1.907(47.65) 30 Kimrobinsonite Ta(OH)3(O,CO3)
3.808(23.34) 100 4.594(19.30) 75 3.902(22.77) 60 Lokkaite-(Y) CaY4(CO3)7•9(H2O)
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 2.710(33.03) 70 1.710(53.55) 60 Jeanbandyite (Fe+++,Mn++)Sn++++(OH)6
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)
3.834(23.18) 100 2.990(29.86) 90 4.089(21.72) 90 Senegalite Al2(PO4)(OH)3•(H2O)
3.834(23.18) 100 4.089(21.72) 90 2.990(29.86) 90 Senegalite Al2(PO4)(OH)3•(H2O)
3.840(23.14) 100 1.720(53.21) 90 1.570(58.76) 80 Vismirnovite ZnSn++++(OH)6
3.840(23.14) 100 2.510(35.74) 59 2.770(32.29) 46 Chopinite (Mg,Fe)3(PO4)2
3.840(23.14) 100 3.410(26.11) 90 3.520(25.28) 90 Mercallite KHSO4
3.840(23.14) 100 3.410(26.11) 90 3.260(27.33) 90 Mercallite KHSO4
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 3.260(27.33) 90 3.410(26.11) 90 Mercallite KHSO4
3.840(23.14) 100 3.720(23.90) 100 3.410(26.11) 40 Liberite Li2BeSiO4
3.840(23.14) 100 5.340(16.59) 45 6.360(13.91) 45 Krauskopfite BaSi2O4(OH)2•2(H2O)
3.842(23.13) 100 3.203(27.83) 84 9.440(9.36) 80 Agrellite NaCa2Si4O10F
3.846(23.11) 100 3.192(27.93) 90 3.511(25.35) 90 Cordylite-(Ce) Ba(Ce,La)2(CO3)3F2
3.846(23.11) 100 3.511(25.35) 90 3.192(27.93) 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 4.160(21.34) 100 5.800(15.26) 80 Lansfordite MgCO3•5(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 3.210(27.77) 60 3.440(25.88) 40 Sulfur S8
3.850(23.08) 100 2.880(31.03) 100 5.730(15.45) 50 Cylindrite Pb3Sn4FeSb2S14
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)
3.852(23.07) 100 9.120(9.69) 100 5.036(17.60) 100 Sieleckiite Cu3Al4(PO4)2(OH)12•2(H2O)
3.852(23.07) 100 5.036(17.60) 100 9.120(9.69) 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

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