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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 |
| 3.131(28.48) | 100 | 3.892(22.83) | 80 | 6.220(14.23) | 80 | Klebelsbergite | Sb+++4O4(OH)2(SO4) |
| 3.131(28.48) | 100 | 6.220(14.23) | 80 | 3.892(22.83) | 80 | Klebelsbergite | Sb+++4O4(OH)2(SO4) |
| 3.132(28.47) | 100 | 2.812(31.80) | 100 | 3.257(27.36) | 100 | Kornite | Na(CaNa)Fe++4(Al,Fe+++)Si7AlO22(OH)2 |
| 3.132(28.47) | 100 | 3.189(27.96) | 100 | 2.058(43.96) | 80 | Schlemaite | (Cu,[ ])6(Pb,Bi)Se4 |
| 3.132(28.47) | 100 | 2.329(38.63) | 40 | 3.713(23.95) | 30 | Dussertite | BaFe+++3(AsO4)2(OH)5 |
| 3.133(28.47) | 100 | 3.163(28.19) | 76 | 1.685(54.41) | 49 | Leiteite | ZnAs+++2O4 |
| 3.134(28.46) | 100 | 1.915(47.44) | 30 | 1.929(47.07) | 25 | Stannite | Cu2FeSnS4 |
| 3.134(28.46) | 100 | 2.788(32.08) | 80 | 2.506(35.80) | 60 | Stranskiite | Zn2Cu++(AsO4)2 |
| 3.134(28.46) | 100 | 2.818(31.73) | 80 | 1.887(48.18) | 65 | Idaite | Cu5FeS6 |
| 3.134(28.46) | 100 | 1.917(47.38) | 50 | 1.644(55.88) | 10 | Silicon | Si |
| 3.135(28.45) | 100 | 2.868(31.16) | 45 | 3.433(25.93) | 35 | Hydroxylherderite | CaBe(PO4)(OH) |
| 3.135(28.45) | 100 | 2.866(31.18) | 70 | 3.720(23.90) | 60 | Anapaite | Ca2Fe++(PO4)2•4(H2O) |
| 3.136(28.44) | 100 | 3.288(27.10) | 100 | 4.960(17.87) | 90 | Lovdarite | K2Na6Be4Si14O36•9(H2O) |
| 3.137(28.43) | 100 | 2.841(31.46) | 37 | 3.645(24.40) | 30 | Krupkaite | PbCuBi3S6 |
| 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 | 2.660(33.67) | 100 | 4.120(21.55) | 100 | Garronite | Na2Ca5Al12Si20O64•27(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 | 2.410(37.28) | 50 | 1.630(56.40) | 50 | Pyrolusite | MnO2 |
| 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 | 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 | 7.060(12.53) | 50 | 3.580(24.85) | 35 | Protasite | Ba(UO2)3O3(OH)2•3(H2O) |
| 3.140(28.40) | 100 | 5.140(17.24) | 90 | 4.200(21.14) | 80 | Mroseite | CaTe++++(CO3)O2 |
| 3.140(28.40) | 100 | 2.860(31.25) | 80 | 2.200(40.99) | 70 | Herderite | CaBe(PO4)F |
| 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 | 1.925(47.17) | 90 | 1.639(56.06) | 80 | Hakite | (Cu,Hg)3(Sb,As)(Se,S)3 |
| 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 | 3.000(29.76) | 90 | 1.762(51.85) | 50 | Chalcostibite | CuSbS2 |
| 3.140(28.40) | 100 | 1.630(56.40) | 50 | 2.410(37.28) | 50 | Pyrolusite | MnO2 |
| 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 | 2.650(33.80) | 35 | 4.050(21.93) | 25 | Langbeinite | K2Mg2(SO4)3 |
| 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 | 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 | 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 | 4.830(18.35) | 60 | 3.220(27.68) | 60 | Cassedanneite | Pb5(VO4)2(CrO4)2•(H2O) |
| 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 | 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 | 2.290(39.31) | 70 | 1.571(58.72) | 40 | Protojoseite | Bi4TeS2 (?) |
| 3.150(28.31) | 100 | 2.617(34.24) | 90 | 3.790(23.45) | 80 | Hannebachite | 2CaSO3•(H2O) |
| 3.150(28.31) | 100 | 2.960(30.17) | 70 | 4.820(18.39) | 40 | Rooseveltite | BiAsO4 |
| 3.150(28.31) | 100 | 2.220(40.60) | 59 | 1.820(50.08) | 23 | Sylvite | KCl |
| 3.150(28.31) | 100 | 3.130(28.49) | 80 | 2.409(37.30) | 80 | Strontiomelane | SrMn++++6Mn+++2O16 |
| 3.150(28.31) | 100 | 1.652(55.59) | 20 | 2.741(32.64) | 18 | Koechlinite | Bi2MoO6 |
| 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 | 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 | 3.220(27.68) | 60 | 4.830(18.35) | 60 | Cassedanneite | Pb5(VO4)2(CrO4)2•(H2O) |
| 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 | 2.925(30.54) | 100 | 4.640(19.11) | 100 | Amblygonite | (Li,Na)Al(PO4)(F,OH) |
| 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 | 4.521(19.62) | 60 | 3.556(25.02) | 55 | Linarite | PbCu(SO4)(OH)2 |
| 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) |
| 3.152(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 |
| 3.152(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) |
| 3.153(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 | 2.957(30.20) | 100 | 1.791(50.95) | 90 | Kingstonite | (Rh,Ir,Pt)3S4 |
| 3.156(28.25) | 100 | 2.129(42.42) | 80 | 2.348(38.30) | 70 | Tellurantimony | Sb2Te3 |
| 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 | 3.081(28.96) | 100 | 2.957(30.20) | 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 | 3.355(26.55) | 77 | 2.966(30.10) | 70 | Gasparite-(Ce) | CeAsO4 |
| 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 | 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) |
| 3.157(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 | 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 | 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 | 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 | 1.830(49.79) | 80 | 3.870(22.96) | 70 | Uranosphaerite | Bi(UO2)O2(OH) |