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 493 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.13698 AND d1 < 3.26502)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.137(28.43) 100 2.841(31.46) 37 3.645(24.40) 30 Krupkaite PbCuBi3S6
3.140(28.40) 100 7.060(12.53) 50 3.580(24.85) 35 Protasite Ba(UO2)3O3(OH)2•3(H2O)
3.140(28.40) 100 8.110(10.90) 100 2.705(33.09) 80 Aenigmatite (Na,Ca)4(Fe++,Ti,Mg)12Si12O40
3.140(28.40) 100 8.450(10.46) 95 2.344(38.37) 70 Potassicpargasite (K,Na)Ca2(Mg,Fe++)5Si8O22(OH,F)2
3.140(28.40) 100 8.510(10.39) 55 2.720(32.90) 35 Magnesiohornblende Ca2[Mg4(Al,Fe+++)]Si7AlO22(OH)2
3.140(28.40) 100 2.410(37.28) 50 1.630(56.40) 50 Pyrolusite MnO2
3.140(28.40) 100 2.660(33.67) 100 4.120(21.55) 100 Garronite Na2Ca5Al12Si20O64•27(H2O)
3.140(28.40) 100 2.970(30.06) 100 3.330(26.75) 100 Magniotriplite (Mg,Fe++,Mn)2(PO4)F
3.140(28.40) 100 2.710(33.03) 100 3.170(28.13) 100 Chevkinite-(Ce) (Ce,La,Ca,Th)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22
3.140(28.40) 100 1.760(51.91) 90 1.240(76.81) 90 Palmierite (K,Na)2Pb(SO4)2
3.140(28.40) 100 5.140(17.24) 90 4.200(21.14) 80 Mroseite CaTe++++(CO3)O2
3.140(28.40) 100 3.290(27.08) 100 3.150(28.31) 94 Chekhovichite (Bi,Pb,Fe)2Te4O11
3.140(28.40) 100 3.210(27.77) 70 2.930(30.48) 60 Bayldonite (Cu,Zn)3Pb(AsO3OH)2(OH)2
3.140(28.40) 100 1.240(76.81) 90 1.760(51.91) 90 Palmierite (K,Na)2Pb(SO4)2
3.140(28.40) 100 1.630(56.40) 50 2.410(37.28) 50 Pyrolusite MnO2
3.140(28.40) 100 1.641(55.99) 80 2.377(37.82) 65 Miserite K1.5-x(Ca, Y,REE)5[Si6O15][Si2O7](OH,F)2•yH2O
3.140(28.40) 100 1.925(47.17) 90 1.639(56.06) 80 Hakite (Cu,Hg)3(Sb,As)(Se,S)3
3.140(28.40) 100 2.520(35.60) 90 2.870(31.14) 90 Emmonsite Fe+++2Te++++3O9•2(H2O)
3.140(28.40) 100 2.870(31.14) 90 2.520(35.60) 90 Emmonsite Fe+++2Te++++3O9•2(H2O)
3.140(28.40) 100 2.650(33.80) 35 4.050(21.93) 25 Langbeinite K2Mg2(SO4)3
3.140(28.40) 100 2.860(31.25) 80 2.200(40.99) 70 Herderite CaBe(PO4)F
3.140(28.40) 100 3.000(29.76) 90 1.762(51.85) 50 Chalcostibite CuSbS2
3.140(28.40) 100 3.025(29.50) 40 3.622(24.56) 30 Pekoite PbCuBi11(S,Se)18
3.141(28.39) 100 2.840(31.47) 80 4.210(21.08) 70 Truscottite (Ca,Mn++)14Si24O58(OH)8•2(H2O)
3.142(28.38) 100 3.118(28.61) 75 3.494(25.47) 25 Valentinite Sb2O3
3.143(28.37) 100 3.101(28.77) 98 2.412(37.25) 73 Hollandite Ba(Mn++++,Mn++)8O16
3.143(28.37) 100 2.826(31.63) 70 1.891(48.08) 60 Nukundamite (Cu,Fe)4S4
3.144(28.36) 100 9.460(9.34) 35 4.998(17.73) 27 Guildite CuFe+++(SO4)2(OH)•4(H2O)
3.145(28.35) 100 8.440(10.47) 90 2.722(32.88) 52 Potassicferrisadanagaite (K,Na)Ca2(Fe++,Mg)2(Fe+++,Al)2[Si5Al3O22](OH,F,O)2
3.146(28.35) 100 3.089(28.88) 63 5.180(17.10) 53 Kristiansenite Ca2ScSn(Si2O7)(Si2O6OH)
3.146(28.35) 100 2.841(31.46) 80 2.694(33.23) 20 Pingguite Bi+++6Te++++2O13
3.148(28.33) 100 2.945(30.32) 60 3.555(25.03) 30 Bismutotantalite Bi(Ta,Nb)O4
3.149(28.32) 100 8.100(10.91) 100 2.696(33.20) 80 Wilkinsonite Na2Fe++4Fe+++2Si6O20
3.149(28.32) 100 3.174(28.09) 100 12.364(7.14) 90 Natrokomarovite Na6CaNb6[Si4O12F2•4(H2O)
3.150(28.31) 100 8.530(10.36) 70 2.732(32.75) 50 Taramite Na(CaNa)Fe++3AlFe+++[Si6Al2O22](OH)2
3.150(28.31) 100 8.530(10.36) 70 2.730(32.78) 50 Ferritaramite Na(CaNa)(Fe++,Mg)3Fe+++2[Si6Al2O22](OH)2
3.150(28.31) 100 4.830(18.35) 60 3.220(27.68) 60 Cassedanneite Pb5(VO4)2(CrO4)2•(H2O)
3.150(28.31) 100 2.560(35.02) 90 1.543(59.90) 90 Labuntsovite-Mn Na4K4(Ba,K)(Mn,Fe)1+x(Ti,Nb)8[Si4O12]4(O,OH)8•n(H2O), n=10-12
3.150(28.31) 100 2.409(37.30) 80 3.130(28.49) 80 Strontiomelane SrMn++++6Mn+++2O16
3.150(28.31) 100 4.672(18.98) 100 3.413(26.09) 90 Tancoite HNa2LiAl(PO4)2(OH)
3.150(28.31) 100 4.070(21.82) 70 2.668(33.56) 50 Efremovite (NH4)2Mg2(SO4)3
3.150(28.31) 100 2.220(40.60) 59 1.820(50.08) 23 Sylvite KCl
3.150(28.31) 100 2.617(34.24) 90 3.790(23.45) 80 Hannebachite 2CaSO3•(H2O)
3.150(28.31) 100 1.930(47.04) 70 1.650(55.66) 50 Kesterite Cu2(Zn,Fe)SnS4
3.150(28.31) 100 1.927(47.12) 40 1.650(55.66) 20 Sakuraiite (Cu,Zn,Fe,In,Sn)4S4
3.150(28.31) 100 2.960(30.17) 70 4.820(18.39) 40 Rooseveltite BiAsO4
3.150(28.31) 100 1.910(47.57) 40 2.445(36.73) 20 Lenaite AgFeS2
3.150(28.31) 100 1.652(55.59) 20 2.741(32.64) 18 Koechlinite Bi2MoO6
3.150(28.31) 100 1.543(59.90) 90 2.560(35.02) 90 Labuntsovite-Mn Na4K4(Ba,K)(Mn,Fe)1+x(Ti,Nb)8[Si4O12]4(O,OH)8•n(H2O), n=10-12
3.150(28.31) 100 3.130(28.49) 80 2.409(37.30) 80 Strontiomelane SrMn++++6Mn+++2O16
3.150(28.31) 100 3.220(27.68) 60 4.830(18.35) 60 Cassedanneite Pb5(VO4)2(CrO4)2•(H2O)
3.150(28.31) 100 2.290(39.31) 70 1.571(58.72) 40 Protojoseite Bi4TeS2 (?)
3.151(28.30) 100 12.000(7.36) 90 5.002(17.72) 90 Dufrenite Fe++Fe+++4(PO4)3(OH)5•2(H2O)
3.151(28.30) 100 2.925(30.54) 100 4.640(19.11) 100 Amblygonite (Li,Na)Al(PO4)(F,OH)
3.151(28.30) 100 5.002(17.72) 90 12.000(7.36) 90 Dufrenite Fe++Fe+++4(PO4)3(OH)5•2(H2O)
3.151(28.30) 100 4.521(19.62) 60 3.556(25.02) 55 Linarite PbCu(SO4)(OH)2
3.151(28.30) 100 3.375(26.39) 70 4.698(18.87) 40 Leifite Na2(Si,Al,Be)7(O,OH,F)14
3.151(28.30) 100 2.738(32.68) 29 2.729(32.79) 22 Russellite Bi2WO6
3.152(28.29) 100 8.090(10.93) 70 2.992(29.84) 65 Hureaulite Mn5(PO3OH)2(PO4)2•4(H2O)
3.152(28.29) 100 3.400(26.19) 80 12.040(7.34) 80 Natrodufrenite Na(Fe+++,Fe++)(Fe+++,Al)5(PO4)4(OH)6•2(H2O)
3.152(28.29) 100 12.040(7.34) 80 3.400(26.19) 80 Natrodufrenite Na(Fe+++,Fe++)(Fe+++,Al)5(PO4)4(OH)6•2(H2O)
3.152(28.29) 100 2.997(29.79) 70 2.856(31.29) 50 Angelellite Fe+++4(AsO4)2O3
3.153(28.28) 100 3.111(28.67) 91 1.823(49.99) 76 Pittongite Na0.22[(W,Fe+++)(O,OH)3•0.44H2O
3.155(28.26) 100 3.232(27.58) 80 3.026(29.49) 80 Gittinsite CaZrSi2O7
3.155(28.26) 100 3.026(29.49) 80 3.232(27.58) 80 Gittinsite CaZrSi2O7
3.156(28.25) 100 2.129(42.42) 80 2.348(38.30) 70 Tellurantimony Sb2Te3
3.156(28.25) 100 3.081(28.96) 100 2.957(30.20) 90 Kingstonite (Rh,Ir,Pt)3S4
3.156(28.25) 100 2.705(33.09) 60 4.930(17.98) 50 Garyansellite (Mg,Fe+++)3(PO4)2(OH,O)•1,5(H2O)
3.156(28.25) 100 3.428(25.97) 85 3.493(25.48) 65 Lautarite Ca(IO3)2
3.156(28.25) 100 3.492(25.49) 90 2.997(29.79) 80 Moctezumite Pb(UO2)(TeO3)2
3.156(28.25) 100 2.957(30.20) 100 1.791(50.95) 90 Kingstonite (Rh,Ir,Pt)3S4
3.156(28.25) 100 4.628(19.16) 90 4.822(18.38) 90 Macquartite Pb3Cu(CrO4)(SiO3)(OH)4•2(H2O)
3.156(28.25) 100 4.822(18.38) 90 4.628(19.16) 90 Macquartite Pb3Cu(CrO4)(SiO3)(OH)4•2(H2O)
3.156(28.25) 100 4.996(17.74) 70 4.701(18.86) 50 Kryzhanovskite MnFe+++2(PO4)2(OH)2•(H2O)
3.156(28.25) 100 3.355(26.55) 77 2.966(30.10) 70 Gasparite-(Ce) CeAsO4
3.157(28.24) 100 1.934(46.94) 49 2.735(32.72) 48 Uraninite UO2
3.157(28.24) 100 15.100(5.85) 90 3.001(29.75) 70 Wawayandaite Ca12Mn4B2Be18Si12O46(OH,Cl)30 [Ortho]
3.159(28.23) 100 1.609(57.21) 100 2.633(34.02) 80 Cobaltaustinite CaCo(AsO4)(OH)
3.159(28.23) 100 2.519(35.61) 81 2.942(30.36) 67 Cabalzarite Ca(Mg,Al,Fe++)2(AsO4)2(H2O,OH)2
3.159(28.23) 100 2.983(29.93) 50 2.749(32.54) 50 Johntomaite Ba(Fe++,Ca,Mn++)2Fe+++2(PO4)3(OH)3
3.159(28.23) 100 3.116(28.62) 90 3.084(28.93) 80 Grandreefite Pb2SO4F2
3.159(28.23) 100 2.749(32.54) 50 2.983(29.93) 50 Johntomaite Ba(Fe++,Ca,Mn++)2Fe+++2(PO4)3(OH)3
3.160(28.22) 100 3.090(28.87) 100 5.700(15.53) 60 Ammonioborite (NH4)2B10O16•5(H2O)
3.160(28.22) 100 2.530(35.45) 100 3.300(27.00) 100 Odintsovite K2Na4Ca3Ti2Be4Si12O38
3.160(28.22) 100 12.410(7.12) 70 2.723(32.86) 60 Ehrleite Ca2ZnBe(PO4)2(PO3,OH)•4(H2O)
3.160(28.22) 100 12.200(7.24) 70 1.783(51.19) 47 Komarovite (Ca,Mn)2(Nb,Ti)2Si2O7(O,F)2•3.5(H2O)
3.160(28.22) 100 1.830(49.79) 80 3.870(22.96) 70 Uranosphaerite Bi(UO2)O2(OH)
3.160(28.22) 100 1.929(47.07) 90 1.645(55.84) 80 Gruzdevite Cu6Hg3Sb4S12
3.160(28.22) 100 2.590(34.60) 70 4.130(21.50) 70 Adelite CaMg(AsO4)(OH)
3.160(28.22) 100 2.715(32.96) 63 1.872(48.59) 36 Edgarbaileyite Hg+6Si2O7
3.160(28.22) 100 2.750(32.53) 50 3.060(29.16) 45 Wherryite Pb7Cu2(SO4)4(SiO4)2(OH)2
3.160(28.22) 100 2.826(31.63) 80 2.611(34.32) 60 Baddeleyite ZrO2
3.160(28.22) 100 3.470(25.65) 70 2.810(31.82) 50 Axinite-(Mn) Ca2Mn++Al2BO3Si4O12(OH)
3.160(28.22) 100 3.580(24.85) 75 3.360(26.51) 60 Greenockite CdS
3.160(28.22) 100 3.780(23.52) 60 1.920(47.30) 50 Radhakrishnaite PbTe3(Cl,S)2
3.160(28.22) 100 4.382(20.25) 80 9.580(9.22) 75 Malhmoodite FeZr(PO4)2•4(H2O)
3.160(28.22) 100 5.730(15.45) 70 1.902(47.78) 60 Sphaerobismoite Bi2O3
3.160(28.22) 100 6.070(14.58) 55 3.040(29.36) 45 Trippkeite CuAs+++2O4
3.160(28.22) 100 6.310(14.02) 28 6.930(12.76) 26 Lemmleinite-Ba Na2K2Ba1-xTi4(Si4O12)2(O,OH)4•5(H2O)
3.160(28.22) 100 2.895(30.86) 95 4.070(21.82) 85 Berezanskite KLi3Ti2Si12O30

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