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 125 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.67696 AND d1 < 3.82704)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.678(24.18) 100 2.766(32.34) 90 1.891(48.08) 70 Wakefieldite-(Ce) (Ce+++,Pb++,Pb++++)VO4
3.680(24.16) 100 2.630(34.06) 80 4.370(20.30) 60 Berthierite FeSb2S4
3.680(24.16) 100 2.890(30.92) 80 6.700(13.20) 70 Faustite (Zn,Cu)Al6(PO4)4(OH)8•4(H2O)
3.680(24.16) 100 2.910(30.70) 80 6.170(14.34) 70 Turquoise CuAl6(PO4)4(OH)8•4(H2O)
3.680(24.16) 100 8.050(10.98) 90 6.680(13.24) 70 Metasideronatrite Na2Fe+++(SO4)2(OH)•(H2O)
3.680(24.16) 100 8.710(10.15) 100 3.480(25.58) 80 Metatorbernite Cu(UO2)2(PO4)2•8(H2O)
3.680(24.16) 100 2.630(34.06) 100 3.800(23.39) 90 Loseyite (Mn,Zn)7(CO3)2(OH)10
3.681(24.16) 100 2.921(30.58) 100 2.403(37.39) 90 Eyselite Fe+++Ge++++3O7(OH)
3.682(24.15) 100 5.350(16.56) 90 3.099(28.78) 90 Schmitterite (UO2)TeO3
3.682(24.15) 100 3.099(28.78) 90 5.350(16.56) 90 Schmitterite (UO2)TeO3
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 2.676(33.46) 100 7.381(11.98) 100 Srebrodolskite Ca2Fe+++2O5
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 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 2.620(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)
3.710(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 2.960(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
3.711(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 3.350(26.59) 90 3.170(28.13) 90 Bellingerite Cu++3(IO3)6•2(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 2.910(30.70) 80 1.950(46.53) 50 Archerite (K,NH4)H2PO4
3.720(23.90) 100 2.742(32.63) 75 3.320(26.83) 40 Benitoite BaTiSi3O9
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 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 4.013(22.13) 90 6.800(13.01) 80 Jurbanite Al(SO4)(OH)•5(H2O)
3.723(23.88) 100 3.123(28.56) 100 2.641(33.91) 80 Magnesiochlorophoenicite (Mg,Mn)3Zn2(AsO4)(OH,O)6
3.725(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 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 3.140(28.40) 80 3.310(26.91) 60 Penfieldite Pb2Cl3(OH)
3.730(23.84) 100 2.296(39.20) 85 3.980(22.32) 60 Iodargyrite AgI
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)
3.730(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 3.218(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 2.534(35.39) 90 14.973(5.90) 90 Theisite Cu5Zn5[(As+++++,Sb+++++)O4]2(OH)14
3.741(23.76) 100 14.973(5.90) 90 2.534(35.39) 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 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 3.110(28.68) 94 2.360(38.10) 82 Zhangpeishanite BaFCl
3.750(23.71) 100 3.020(29.55) 90 5.240(16.91) 90 Biphosphammite (NH4,K)H2PO4
3.750(23.71) 100 8.830(10.01) 100 3.020(29.55) 90 Haigerachite KFe+++3(H2PO4)6(HPO4)2•4(H2O)
3.752(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 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 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-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 5.660(15.64) 100 14.300(6.18) 100 Faujasite-Mg (Mg,Na2,Ca)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 2.780(32.17) 100 2.610(34.33) 100 Hanksite KNa22(SO4)9(CO3)2Cl

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