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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.
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 3.155(28.26) | 100 | 3.026(29.49) | 80 | 3.232(27.58) | 80 | Gittinsite | CaZrSi2O7 |
| 3.155(28.26) | 100 | 3.232(27.58) | 80 | 3.026(29.49) | 80 | Gittinsite | CaZrSi2O7 |
| 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 | 2.957(30.20) | 100 | 1.791(50.95) | 90 | Kingstonite | (Rh,Ir,Pt)3S4 |
| 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 | 4.628(19.16) | 90 | 4.822(18.38) | 90 | Macquartite | Pb3Cu(CrO4)(SiO3)(OH)4•2(H2O) |
| 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 | 3.428(25.97) | 85 | 3.493(25.48) | 65 | Lautarite | Ca(IO3)2 |
| 3.156(28.25) | 100 | 3.355(26.55) | 77 | 2.966(30.10) | 70 | Gasparite-(Ce) | CeAsO4 |
| 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) |
| 3.157(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 | 2.983(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 |
| 3.159(28.23) | 100 | 2.519(35.61) | 81 | 2.942(30.36) | 67 | Cabalzarite | Ca(Mg,Al,Fe++)2(AsO4)2(H2O,OH)2 |
| 3.160(28.22) | 100 | 4.130(21.50) | 70 | 2.590(34.60) | 70 | Adelite | CaMg(AsO4)(OH) |
| 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 | 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 | 12.410(7.12) | 70 | 2.723(32.86) | 60 | Ehrleite | Ca2ZnBe(PO4)2(PO3,OH)•4(H2O) |
| 3.160(28.22) | 100 | 2.530(35.45) | 100 | 3.300(27.00) | 100 | Odintsovite | K2Na4Ca3Ti2Be4Si12O38 |
| 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 | 4.382(20.25) | 80 | 9.580(9.22) | 75 | Malhmoodite | FeZr(PO4)2•4(H2O) |
| 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 | 3.580(24.85) | 75 | 3.360(26.51) | 60 | Greenockite | CdS |
| 3.160(28.22) | 100 | 1.940(46.79) | 80 | 1.660(55.29) | 60 | Roquesite | CuInS2 |
| 3.160(28.22) | 100 | 2.320(38.78) | 60 | 2.160(41.78) | 50 | Sulphotsumoite | Bi3Te2S |
| 3.160(28.22) | 100 | 2.510(35.74) | 85 | 7.020(12.60) | 60 | Tsepinite-Ca | (Ca,K,Na,[ ])2(Ti,Nb)2(Si4O12)(OH,O)2•4(H2O) |
| 3.160(28.22) | 100 | 2.520(35.60) | 70 | 3.950(22.49) | 60 | Daqingshanite-(Ce) | (Sr,Ca,Ba)3(Ce,La)(PO4)(CO3)3-x(OH,F)x |
| 3.160(28.22) | 100 | 2.590(34.60) | 70 | 4.130(21.50) | 70 | Adelite | CaMg(AsO4)(OH) |
| 3.160(28.22) | 100 | 1.929(47.07) | 90 | 1.645(55.84) | 80 | Gruzdevite | Cu6Hg3Sb4S12 |
| 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 | 2.170(41.58) | 50 | 2.300(39.13) | 40 | Joseite-B | Bi4(S,Te)3 |
| 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 | 2.895(30.86) | 95 | 4.070(21.82) | 85 | Berezanskite | KLi3Ti2Si12O30 |
| 3.160(28.22) | 100 | 2.826(31.63) | 80 | 2.611(34.32) | 60 | Baddeleyite | ZrO2 |
| 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 | 2.715(32.96) | 63 | 1.872(48.59) | 36 | Edgarbaileyite | Hg+6Si2O7 |
| 3.161(28.21) | 100 | 3.584(24.82) | 100 | 3.644(24.41) | 100 | Friedrichite | Pb5Cu5Bi7S18 |
| 3.161(28.21) | 100 | 3.644(24.41) | 100 | 3.584(24.82) | 100 | Friedrichite | Pb5Cu5Bi7S18 |
| 3.161(28.21) | 100 | 4.885(18.14) | 90 | 2.318(38.82) | 90 | Sphaerobertrandite | Be3SiO4(OH)2 |
| 3.161(28.21) | 100 | 2.318(38.82) | 90 | 4.885(18.14) | 90 | Sphaerobertrandite | Be3SiO4(OH)2 |
| 3.161(28.21) | 100 | 2.732(32.75) | 80 | 8.510(10.39) | 70 | Arfvedsonite | NaNa2(Fe++4Fe+++)Si8O22(OH)2 |
| 3.161(28.21) | 100 | 3.386(26.30) | 70 | 2.466(36.40) | 31 | Eirikite | KNa6Be2(Si15Al3)O39F2 |
| 3.162(28.20) | 100 | 3.893(22.82) | 80 | 3.960(22.43) | 65 | Boggildite | Sr2Na2Al2(PO4)F9 |
| 3.162(28.20) | 100 | 3.382(26.33) | 75 | 4.149(21.40) | 50 | Telyushenkoite | CsNa6[Be2(Si,Al)18O39F2] |
| 3.163(28.19) | 100 | 3.398(26.20) | 80 | 3.074(29.02) | 80 | Eudidymite | NaBeSi3O7(OH) |
| 3.163(28.19) | 100 | 3.074(29.02) | 80 | 3.398(26.20) | 80 | Eudidymite | NaBeSi3O7(OH) |
| 3.163(28.19) | 100 | 2.974(30.02) | 70 | 3.087(28.90) | 65 | Mongolite | Ca4Nb6Si5O24(OH)10•5(H2O) |
| 3.164(28.18) | 100 | 4.141(21.44) | 97 | 1.970(46.03) | 38 | Calomel | Hg2Cl2 |
| 3.164(28.18) | 100 | 3.633(24.48) | 80 | 2.772(32.27) | 70 | Paxite | CuAs2 |
| 3.164(28.18) | 100 | 2.934(30.44) | 90 | 1.734(52.75) | 80 | Bismutocolumbite | Bi(Nb,Ta)O4 |
| 3.164(28.18) | 100 | 2.582(34.71) | 37 | 2.445(36.73) | 36 | Phosphovanadylite | (Ba,Ca,K,Na)x[(V,Al)4P2(O,OH)16]•12(H2O) x~0.66 |
| 3.165(28.17) | 100 | 1.938(46.84) | 80 | 2.741(32.64) | 70 | Winstanleyite | TiTe++++3O8 |
| 3.166(28.16) | 100 | 2.979(29.97) | 60 | 3.104(28.74) | 53 | Perloffite | Ba(Mn,Fe++)2Fe+++2(PO4)3(OH)3 |
| 3.167(28.15) | 100 | 3.093(28.84) | 100 | 1.659(55.33) | 70 | Howardevansite | NaCu++Fe+++2(VO4)3 |
| 3.167(28.15) | 100 | 4.874(18.19) | 90 | 2.503(35.85) | 90 | Sewardite | CaFe+++2(AsO4)2(OH)2 |
| 3.167(28.15) | 100 | 4.751(18.66) | 60 | 2.818(31.73) | 60 | Embreyite | Pb5(CrO4)2(PO4)2•(H2O) |
| 3.167(28.15) | 100 | 2.503(35.85) | 90 | 4.874(18.19) | 90 | Sewardite | CaFe+++2(AsO4)2(OH)2 |
| 3.167(28.15) | 100 | 3.082(28.95) | 90 | 5.063(17.50) | 60 | Carlfriesite | CaTe++++2Te++++++O8 |
| 3.167(28.15) | 100 | 2.872(31.11) | 85 | 2.494(35.98) | 50 | Enstatite | Mg2Si2O6 |
| 3.167(28.15) | 100 | 1.939(46.81) | 70 | 1.662(55.22) | 50 | Cernyite | Cu2CdSnS4 |
| 3.167(28.15) | 100 | 2.818(31.73) | 60 | 4.751(18.66) | 60 | Embreyite | Pb5(CrO4)2(PO4)2•(H2O) |
| 3.168(28.14) | 100 | 1.922(47.25) | 47 | 2.957(30.20) | 43 | Apuanite | Fe++Fe+++4Sb+++4O12S |
| 3.168(28.14) | 100 | 2.575(34.81) | 90 | 2.414(37.22) | 75 | Plimerite | ZnFe+++4(PO4)3(OH)5 |
| 3.169(28.14) | 100 | 2.585(34.67) | 58 | 6.950(12.73) | 56 | Labuntsovite-Fe | Na4K4(Ba,K)2(Fe,Mg,Mn)1+xTi8(Si4O12)4(O,OH)8•10(H2O) |
| 3.170(28.13) | 100 | 1.610(57.17) | 90 | 3.320(26.83) | 80 | Mackayite | Fe+++Te2O5(OH) |
| 3.170(28.13) | 100 | 1.659(55.33) | 90 | 2.450(36.65) | 90 | Orthobrannerite | U++++U++++++Ti4O12(OH)2 |
| 3.170(28.13) | 100 | 1.695(54.06) | 85 | 1.728(52.94) | 85 | Thorutite | (Th,U,Ca)Ti2(O,OH)6 |
| 3.170(28.13) | 100 | 1.728(52.94) | 85 | 1.695(54.06) | 85 | Thorutite | (Th,U,Ca)Ti2(O,OH)6 |
| 3.170(28.13) | 100 | 2.855(31.30) | 80 | 2.659(33.68) | 80 | Reyerite | (Na,K)4Ca14Si22Al2O58(OH)8•6(H2O) |
| 3.170(28.13) | 100 | 3.010(29.65) | 60 | 2.830(31.59) | 50 | Larsenite | PbZnSiO4 |
| 3.170(28.13) | 100 | 3.040(29.36) | 100 | 3.290(27.08) | 70 | Sarkinite | Mn++2(AsO4)(OH) |
| 3.170(28.13) | 100 | 1.858(48.99) | 100 | 2.018(44.88) | 40 | Argentopentlandite | Ag(Fe,Ni)8S8 |
| 3.170(28.13) | 100 | 9.770(9.04) | 100 | 1.485(62.49) | 100 | Brammallite | (Na,H3O)(Al,Mg,Fe)2(Si,Al)4O10[(OH)2,(H2O)] |
| 3.170(28.13) | 100 | 1.941(46.76) | 80 | 1.671(54.90) | 40 | Velikite | Cu2HgSnS4 |
| 3.170(28.13) | 100 | 2.450(36.65) | 90 | 1.659(55.33) | 90 | Orthobrannerite | U++++U++++++Ti4O12(OH)2 |
| 3.170(28.13) | 100 | 6.340(13.96) | 100 | 3.020(29.55) | 80 | Messelite | Ca2(Fe++,Mn)(PO4)2•2(H2O) |
| 3.170(28.13) | 100 | 4.496(19.73) | 72 | 1.614(57.01) | 41 | Gottlobite | CaMg(VO4,AsO4)(OH) |
| 3.170(28.13) | 100 | 4.040(21.98) | 95 | 4.290(20.69) | 95 | Loweite | Na12Mg7(SO4)13•15(H2O) |
| 3.170(28.13) | 100 | 3.660(24.30) | 90 | 3.590(24.78) | 80 | Aikinite | PbCuBiS3 |
| 3.170(28.13) | 100 | 3.099(28.78) | 35 | 3.210(27.77) | 32 | Plumbotellurite | PbTe++++O3 |
| 3.170(28.13) | 100 | 3.140(28.40) | 100 | 2.710(33.03) | 100 | Chevkinite-(Ce) | (Ce,La,Ca,Th)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22 |
| 3.170(28.13) | 100 | 2.788(32.08) | 67 | 9.501(9.30) | 53 | Skorpionite | Ca3Zn2(PO4)2CO3(OH)2•H2O |
| 3.170(28.13) | 100 | 2.240(40.23) | 100 | 1.819(50.11) | 100 | Argentite | Ag2S |
| 3.170(28.13) | 100 | 2.659(33.68) | 80 | 2.855(31.30) | 80 | Reyerite | (Na,K)4Ca14Si22Al2O58(OH)8•6(H2O) |
| 3.170(28.13) | 100 | 4.290(20.69) | 95 | 4.040(21.98) | 95 | Loweite | Na12Mg7(SO4)13•15(H2O) |
| 3.170(28.13) | 100 | 7.000(12.64) | 90 | 6.330(13.98) | 80 | Kuzmenkoite-Mn | (K,Na)2(Mn,Fe)(Ti,Nb)4[Si4O12]2(OH)4•5(H2O) |
| 3.171(28.12) | 100 | 2.801(31.92) | 100 | 2.637(33.97) | 100 | Austinite | CaZn(AsO4)(OH) |
| 3.173(28.10) | 100 | 7.361(12.01) | 100 | 2.918(30.61) | 80 | Luddenite | Pb2Cu2Si5O14•14(H2O) |
| 3.174(28.09) | 100 | 3.149(28.32) | 100 | 12.364(7.14) | 90 | Natrokomarovite | Na6CaNb6[Si4O12F2•4(H2O) |
| 3.174(28.09) | 100 | 2.107(42.89) | 94 | 3.682(24.15) | 80 | Sokolovaite | CsLi2AlSi4O10F2 |
| 3.174(28.09) | 100 | 2.918(30.61) | 38 | 1.730(52.88) | 21 | Paramelaconite | Cu+2Cu++2O3 |
| 3.175(28.08) | 100 | 2.938(30.40) | 100 | 3.398(26.20) | 100 | Ferrilotharmeyerite | Ca(Zn,Cu++)(Fe+++,Zn)(AsO4)2(OH,H2O)2 |
| 3.175(28.08) | 100 | 3.093(28.84) | 57 | 3.083(28.94) | 55 | Labuntsovite-Mg | Na4K4(Ba,K)(Mg,Fe)1+xTi8(Si4O12)4(O,OH)8•10(H2O) |