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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 |
| 3.142(28.38) | 100 | 3.118(28.61) | 75 | 3.494(25.47) | 25 | Valentinite | Sb2O3 |
| 3.143(28.37) | 100 | 2.826(31.63) | 70 | 1.891(48.08) | 60 | Nukundamite | (Cu,Fe)4S4 |
| 3.143(28.37) | 100 | 3.101(28.77) | 98 | 2.412(37.25) | 73 | Hollandite | Ba(Mn++++,Mn++)8O16 |
| 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 | 2.841(31.46) | 80 | 2.694(33.23) | 20 | Pingguite | Bi+++6Te++++2O13 |
| 3.146(28.35) | 100 | 3.089(28.88) | 63 | 5.180(17.10) | 53 | Kristiansenite | Ca2ScSn(Si2O7)(Si2O6OH) |
| 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 | 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 | 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 | 8.530(10.36) | 70 | 2.732(32.75) | 50 | Taramite | Na(CaNa)Fe++3AlFe+++[Si6Al2O22](OH)2 |
| 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 | 3.220(27.68) | 60 | 4.830(18.35) | 60 | Cassedanneite | Pb5(VO4)2(CrO4)2•(H2O) |
| 3.150(28.31) | 100 | 3.130(28.49) | 80 | 2.409(37.30) | 80 | Strontiomelane | SrMn++++6Mn+++2O16 |
| 3.150(28.31) | 100 | 2.960(30.17) | 70 | 4.820(18.39) | 40 | Rooseveltite | BiAsO4 |
| 3.150(28.31) | 100 | 2.617(34.24) | 90 | 3.790(23.45) | 80 | Hannebachite | 2CaSO3•(H2O) |
| 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 | 1.652(55.59) | 20 | 2.741(32.64) | 18 | Koechlinite | Bi2MoO6 |
| 3.150(28.31) | 100 | 1.910(47.57) | 40 | 2.445(36.73) | 20 | Lenaite | AgFeS2 |
| 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 | 1.930(47.04) | 70 | 1.650(55.66) | 50 | Kesterite | Cu2(Zn,Fe)SnS4 |
| 3.150(28.31) | 100 | 2.220(40.60) | 59 | 1.820(50.08) | 23 | Sylvite | KCl |
| 3.150(28.31) | 100 | 2.290(39.31) | 70 | 1.571(58.72) | 40 | Protojoseite | Bi4TeS2 (?) |
| 3.150(28.31) | 100 | 2.409(37.30) | 80 | 3.130(28.49) | 80 | Strontiomelane | SrMn++++6Mn+++2O16 |
| 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 | 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 | 2.738(32.68) | 29 | 2.729(32.79) | 22 | Russellite | Bi2WO6 |
| 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 |
| 3.152(28.29) | 100 | 2.997(29.79) | 70 | 2.856(31.29) | 50 | Angelellite | Fe+++4(AsO4)2O3 |
| 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 | 8.090(10.93) | 70 | 2.992(29.84) | 65 | Hureaulite | Mn5(PO3OH)2(PO4)2•4(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) |
| 3.153(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 | 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 | 3.355(26.55) | 77 | 2.966(30.10) | 70 | Gasparite-(Ce) | CeAsO4 |
| 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 | 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 | 15.100(5.85) | 90 | 3.001(29.75) | 70 | Wawayandaite | Ca12Mn4B2Be18Si12O46(OH,Cl)30 [Ortho] |
| 3.157(28.24) | 100 | 1.934(46.94) | 49 | 2.735(32.72) | 48 | Uraninite | UO2 |
| 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 | 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 | 2.510(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 | 4.130(21.50) | 70 | 2.590(34.60) | 70 | Adelite | CaMg(AsO4)(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 | 2.320(38.78) | 60 | 2.160(41.78) | 50 | Sulphotsumoite | Bi3Te2S |
| 3.160(28.22) | 100 | 2.530(35.45) | 100 | 3.300(27.00) | 100 | Odintsovite | K2Na4Ca3Ti2Be4Si12O38 |
| 3.160(28.22) | 100 | 1.940(46.79) | 80 | 1.660(55.29) | 60 | Roquesite | CuInS2 |
| 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 | 2.520(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 | 3.470(25.65) | 70 | 2.810(31.82) | 50 | Axinite-(Mn) | Ca2Mn++Al2BO3Si4O12(OH) |
| 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 | 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 |
| 3.160(28.22) | 100 | 6.070(14.58) | 55 | 3.040(29.36) | 45 | Trippkeite | CuAs+++2O4 |
| 3.160(28.22) | 100 | 5.730(15.45) | 70 | 1.902(47.78) | 60 | Sphaerobismoite | Bi2O3 |
| 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 | 2.715(32.96) | 63 | 1.872(48.59) | 36 | Edgarbaileyite | Hg+6Si2O7 |
| 3.160(28.22) | 100 | 2.590(34.60) | 70 | 4.130(21.50) | 70 | Adelite | CaMg(AsO4)(OH) |
| 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) |
| 3.161(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 |
| 3.161(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 |
| 3.162(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 | 2.974(30.02) | 70 | 3.087(28.90) | 65 | Mongolite | Ca4Nb6Si5O24(OH)10•5(H2O) |
| 3.163(28.19) | 100 | 3.074(29.02) | 80 | 3.398(26.20) | 80 | Eudidymite | NaBeSi3O7(OH) |
| 3.163(28.19) | 100 | 3.398(26.20) | 80 | 3.074(29.02) | 80 | Eudidymite | NaBeSi3O7(OH) |
| 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 |
| 3.164(28.18) | 100 | 2.934(30.44) | 90 | 1.734(52.75) | 80 | Bismutocolumbite | Bi(Nb,Ta)O4 |
| 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 |
| 3.165(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 |