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X-Ray Diffraction Table |
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X-Ray Diffraction Table |
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 |
| 6.274(14.10) | 200 | 5.682(15.58) | 74 | 7.290(12.13) | 60 | Krupkaite | PbCuBi3S6 |
| 6.280(14.09) | 200 | 17.020(5.19) | 110 | 5.440(16.28) | 70 | Magnesiohornblende | Ca2[Mg4(Al,Fe+++)]Si7AlO22(OH)2 |
| 6.280(14.09) | 200 | 6.580(13.45) | 200 | 6.300(14.05) | 188 | Chekhovichite | (Bi,Pb,Fe)2Te4O11 |
| 6.280(14.09) | 200 | 16.900(5.22) | 190 | 4.688(18.91) | 140 | Potassicpargasite | (K,Na)Ca2(Mg,Fe++)5Si8O22(OH,F)2 |
| 6.280(14.09) | 200 | 5.720(15.48) | 160 | 4.400(20.16) | 140 | Herderite | CaBe(PO4)F |
| 6.280(14.09) | 200 | 2.480(36.19) | 180 | 3.520(25.28) | 180 | Palmierite | (K,Na)2Pb(SO4)2 |
| 6.280(14.09) | 200 | 16.220(5.44) | 200 | 5.410(16.37) | 160 | Aenigmatite | (Na,Ca)4(Fe++,Ti,Mg)12Si12O40 |
| 6.280(14.09) | 200 | 6.000(14.75) | 180 | 3.524(25.25) | 100 | Chalcostibite | CuSbS2 |
| 6.280(14.09) | 200 | 6.420(13.78) | 140 | 5.860(15.11) | 120 | Bayldonite | (Cu,Zn)3Pb(AsO3OH)2(OH)2 |
| 6.280(14.09) | 200 | 10.280(8.59) | 180 | 8.400(10.52) | 160 | Mroseite | CaTe++++(CO3)O2 |
| 6.280(14.09) | 200 | 5.300(16.71) | 70 | 8.100(10.91) | 50 | Langbeinite | K2Mg2(SO4)3 |
| 6.280(14.09) | 200 | 6.050(14.63) | 80 | 7.244(12.21) | 60 | Pekoite | PbCuBi11(S,Se)18 |
| 6.280(14.09) | 200 | 14.120(6.25) | 100 | 7.160(12.35) | 70 | Protasite | Ba(UO2)3O3(OH)2·3(H2O) |
| 6.280(14.09) | 200 | 5.040(17.58) | 180 | 5.740(15.42) | 180 | Emmonsite | Fe+++2Te++++3O9·2(H2O) |
| 6.280(14.09) | 200 | 3.260(27.33) | 100 | 4.820(18.39) | 100 | Pyrolusite | MnO2 |
| 6.280(14.09) | 200 | 3.282(27.15) | 160 | 4.754(18.65) | 130 | Miserite | K1.5-x(Ca, Y,REE)5[Si6O15][Si2O7](OH,F)2·yH2O |
| 6.280(14.09) | 200 | 3.850(23.08) | 180 | 3.278(27.18) | 160 | Hakite | (Cu,Hg)3(Sb,As)(Se,S)3 |
| 6.282(14.09) | 200 | 5.680(15.59) | 160 | 8.420(10.50) | 140 | Truscottite | (Ca,Mn++)14Si24O58(OH)8·2(H2O) |
| 6.284(14.08) | 200 | 6.236(14.19) | 150 | 6.988(12.66) | 50 | Valentinite | Sb2O3 |
| 6.286(14.08) | 200 | 6.202(14.27) | 196 | 4.824(18.38) | 146 | Hollandite | Ba(Mn++++,Mn++)8O16 |
| 6.286(14.08) | 200 | 5.652(15.67) | 140 | 3.782(23.50) | 120 | Nukundamite | (Cu,Fe)4S4 |
| 6.288(14.07) | 200 | 18.920(4.67) | 70 | 9.996(8.84) | 54 | Guildite | CuFe+++(SO4)2(OH)·4(H2O) |
| 6.290(14.07) | 200 | 16.880(5.23) | 180 | 5.444(16.27) | 104 | Potassicferrisadanagaite | (K,Na)Ca2(Fe++,Mg)2(Fe+++,Al)2[Si5Al3O22](OH,F,O)2 |
| 6.292(14.06) | 200 | 6.178(14.32) | 126 | 10.360(8.53) | 106 | Kristiansenite | Ca2ScSn(Si2O7)(Si2O6OH) |
| 6.292(14.06) | 200 | 5.682(15.58) | 160 | 5.388(16.44) | 40 | Pingguite | Bi+++6Te++++2O13 |
| 6.296(14.05) | 200 | 5.890(15.03) | 120 | 7.110(12.44) | 60 | Bismutotantalite | Bi(Ta,Nb)O4 |
| 6.298(14.05) | 200 | 6.348(13.94) | 200 | 24.728(3.57) | 180 | Natrokomarovite | Na6CaNb6[Si4O12F2·4(H2O) |
| 6.298(14.05) | 200 | 16.200(5.45) | 200 | 5.392(16.43) | 160 | Wilkinsonite | Na2Fe++4Fe+++2Si6O20 |
| 6.300(14.05) | 200 | 6.260(14.14) | 160 | 4.818(18.40) | 160 | Strontiomelane | SrMn++++6Mn+++2O16 |
| 6.300(14.05) | 200 | 5.234(16.93) | 180 | 7.580(11.66) | 160 | Hannebachite | 2CaSO3·(H2O) |
| 6.300(14.05) | 200 | 3.086(28.91) | 180 | 5.120(17.31) | 180 | Labuntsovite-Mn | Na4K4(Ba,K)(Mn,Fe)1+x(Ti,Nb)8[Si4O12]4(O,OH)8·n(H2O), n=10-12 |
| 6.300(14.05) | 200 | 4.580(19.36) | 140 | 3.142(28.38) | 80 | Protojoseite | Bi4TeS2 (?) |
| 6.300(14.05) | 200 | 17.060(5.18) | 140 | 5.464(16.21) | 100 | Taramite | Na(CaNa)Fe++3AlFe+++[Si6Al2O22](OH)2 |
| 6.300(14.05) | 200 | 17.060(5.18) | 140 | 5.460(16.22) | 100 | Ferritaramite | Na(CaNa)(Fe++,Mg)3Fe+++2[Si6Al2O22](OH)2 |
| 6.300(14.05) | 200 | 3.304(26.96) | 40 | 5.482(16.15) | 36 | Koechlinite | Bi2MoO6 |
| 6.300(14.05) | 200 | 6.440(13.74) | 120 | 9.660(9.15) | 120 | Cassedanneite | Pb5(VO4)2(CrO4)2·(H2O) |
| 6.300(14.05) | 200 | 3.854(23.06) | 80 | 3.300(27.00) | 40 | Sakuraiite | (Cu,Zn,Fe,In,Sn)4S4 |
| 6.300(14.05) | 200 | 3.860(23.02) | 140 | 3.300(27.00) | 100 | Kesterite | Cu2(Zn,Fe)SnS4 |
| 6.300(14.05) | 200 | 5.920(14.95) | 140 | 9.640(9.17) | 80 | Rooseveltite | BiAsO4 |
| 6.300(14.05) | 200 | 8.140(10.86) | 140 | 5.336(16.60) | 100 | Efremovite | (NH4)2Mg2(SO4)3 |
| 6.300(14.05) | 200 | 3.820(23.27) | 80 | 4.890(18.13) | 40 | Lenaite | AgFeS2 |
| 6.300(14.05) | 200 | 9.344(9.46) | 200 | 6.826(12.96) | 180 | Tancoite | HNa2LiAl(PO4)2(OH) |
| 6.300(14.05) | 200 | 4.440(19.98) | 118 | 3.640(24.43) | 46 | Sylvite | KCl |
| 6.302(14.04) | 200 | 5.476(16.17) | 58 | 5.458(16.23) | 44 | Russellite | Bi2WO6 |
| 6.302(14.04) | 200 | 10.004(8.83) | 180 | 24.000(3.68) | 180 | Dufrenite | Fe++Fe+++4(PO4)3(OH)5·2(H2O) |
| 6.302(14.04) | 200 | 9.042(9.77) | 120 | 7.112(12.44) | 110 | Linarite | PbCu(SO4)(OH)2 |
| 6.302(14.04) | 200 | 6.750(13.11) | 140 | 9.396(9.40) | 80 | Leifite | Na2(Si,Al,Be)7(O,OH,F)14 |
| 6.304(14.04) | 200 | 16.180(5.46) | 140 | 5.984(14.79) | 130 | Hureaulite | Mn5(PO3OH)2(PO4)2·4(H2O) |
| 6.304(14.04) | 200 | 5.994(14.77) | 140 | 5.712(15.50) | 100 | Angelellite | Fe+++4(AsO4)2O3 |
| 6.304(14.04) | 200 | 6.800(13.01) | 160 | 24.080(3.67) | 160 | Natrodufrenite | Na(Fe+++,Fe++)(Fe+++,Al)5(PO4)4(OH)6·2(H2O) |
| 6.306(14.03) | 200 | 6.222(14.22) | 182 | 3.646(24.39) | 152 | Pittongite | Na0.22[(W,Fe+++)(O,OH)3·0.44H2O |
| 6.310(14.02) | 200 | 6.052(14.62) | 160 | 6.464(13.69) | 160 | Gittinsite | CaZrSi2O7 |
| 6.312(14.02) | 200 | 9.256(9.55) | 180 | 9.644(9.16) | 180 | Macquartite | Pb3Cu(CrO4)(SiO3)(OH)4·2(H2O) |
| 6.312(14.02) | 200 | 6.162(14.36) | 200 | 5.914(14.97) | 180 | Kingstonite | (Rh,Ir,Pt)3S4 |
| 6.312(14.02) | 200 | 4.258(20.84) | 160 | 4.696(18.88) | 140 | Tellurantimony | Sb2Te3 |
| 6.312(14.02) | 200 | 5.410(16.37) | 120 | 9.860(8.96) | 100 | Garyansellite | (Mg,Fe+++)3(PO4)2(OH,O)·1,5(H2O) |
| 6.312(14.02) | 200 | 6.984(12.66) | 180 | 5.994(14.77) | 160 | Moctezumite | Pb(UO2)(TeO3)2 |
| 6.312(14.02) | 200 | 6.710(13.18) | 154 | 5.932(14.92) | 140 | Gasparite-(Ce) | CeAsO4 |
| 6.312(14.02) | 200 | 6.856(12.90) | 170 | 6.986(12.66) | 130 | Lautarite | Ca(IO3)2 |
| 6.312(14.02) | 200 | 9.992(8.84) | 140 | 9.402(9.40) | 100 | Kryzhanovskite | MnFe+++2(PO4)2(OH)2·(H2O) |
| 6.314(14.01) | 200 | 3.868(22.97) | 98 | 5.470(16.19) | 96 | Uraninite | UO2 |
| 6.314(14.01) | 200 | 30.200(2.92) | 180 | 6.002(14.75) | 140 | Wawayandaite | Ca12Mn4B2Be18Si12O46(OH,Cl)30 [Ortho] |
| 6.318(14.01) | 200 | 6.232(14.20) | 180 | 6.168(14.35) | 160 | Grandreefite | Pb2SO4F2 |
| 6.318(14.01) | 200 | 5.498(16.11) | 100 | 5.966(14.84) | 100 | Johntomaite | Ba(Fe++,Ca,Mn++)2Fe+++2(PO4)3(OH)3 |
| 6.318(14.01) | 200 | 5.038(17.59) | 162 | 5.884(15.04) | 134 | Cabalzarite | Ca(Mg,Al,Fe++)2(AsO4)2(H2O,OH)2 |
| 6.320(14.00) | 200 | 4.340(20.45) | 100 | 4.600(19.28) | 80 | Joseite-B | Bi4(S,Te)3 |
| 6.320(14.00) | 200 | 24.400(3.62) | 140 | 3.566(24.95) | 94 | Komarovite | (Ca,Mn)2(Nb,Ti)2Si2O7(O,F)2·3.5(H2O) |
| 6.320(14.00) | 200 | 3.858(23.03) | 180 | 3.290(27.08) | 160 | Gruzdevite | Cu6Hg3Sb4S12 |
| 6.320(14.00) | 200 | 5.790(15.29) | 190 | 8.140(10.86) | 170 | Berezanskite | KLi3Ti2Si12O30 |
| 6.320(14.00) | 200 | 12.620(7.00) | 56 | 13.860(6.37) | 52 | Lemmleinite-Ba | Na2K2Ba1-xTi4(Si4O12)2(O,OH)4·5(H2O) |
| 6.320(14.00) | 200 | 5.020(17.65) | 170 | 14.040(6.29) | 120 | Tsepinite-Ca | (Ca,K,Na,[ ])2(Ti,Nb)2(Si4O12)(OH,O)2·4(H2O) |
| 6.320(14.00) | 200 | 5.500(16.10) | 100 | 6.120(14.46) | 90 | Wherryite | Pb7Cu2(SO4)4(SiO4)2(OH)2 |
| 6.320(14.00) | 200 | 8.764(10.08) | 160 | 19.160(4.61) | 150 | Malhmoodite | FeZr(PO4)2·4(H2O) |
| 6.320(14.00) | 200 | 5.180(17.10) | 140 | 8.260(10.70) | 140 | Adelite | CaMg(AsO4)(OH) |
| 6.320(14.00) | 200 | 12.140(7.28) | 110 | 6.080(14.56) | 90 | Trippkeite | CuAs+++2O4 |
| 6.320(14.00) | 200 | 3.660(24.30) | 160 | 7.740(11.42) | 140 | Uranosphaerite | Bi(UO2)O2(OH) |
| 6.320(14.00) | 200 | 11.460(7.71) | 140 | 3.804(23.37) | 120 | Sphaerobismoite | Bi2O3 |
| 6.320(14.00) | 200 | 7.160(12.35) | 150 | 6.720(13.16) | 120 | Greenockite | CdS |
| 6.320(14.00) | 200 | 24.820(3.56) | 140 | 5.446(16.26) | 120 | Ehrleite | Ca2ZnBe(PO4)2(PO3,OH)·4(H2O) |
| 6.320(14.00) | 200 | 5.430(16.31) | 126 | 3.744(23.75) | 72 | Edgarbaileyite | Hg+6Si2O7 |
| 6.320(14.00) | 200 | 5.652(15.67) | 160 | 5.222(16.96) | 120 | Baddeleyite | ZrO2 |
| 6.320(14.00) | 200 | 6.940(12.74) | 140 | 5.620(15.76) | 100 | Axinite-(Mn) | Ca2Mn++Al2BO3Si4O12(OH) |
| 6.320(14.00) | 200 | 4.640(19.11) | 120 | 4.320(20.54) | 100 | Sulphotsumoite | Bi3Te2S |
| 6.320(14.00) | 200 | 5.040(17.58) | 140 | 7.900(11.19) | 120 | Daqingshanite-(Ce) | (Sr,Ca,Ba)3(Ce,La)(PO4)(CO3)3-x(OH,F)x |
| 6.320(14.00) | 200 | 7.560(11.70) | 120 | 3.840(23.14) | 100 | Radhakrishnaite | PbTe3(Cl,S)2 |
| 6.320(14.00) | 200 | 3.880(22.90) | 160 | 3.320(26.83) | 120 | Roquesite | CuInS2 |
| 6.322(14.00) | 200 | 5.464(16.21) | 160 | 17.020(5.19) | 140 | Arfvedsonite | NaNa2(Fe++4Fe+++)Si8O22(OH)2 |
| 6.322(14.00) | 200 | 4.636(19.13) | 180 | 9.770(9.04) | 180 | Sphaerobertrandite | Be3SiO4(OH)2 |
| 6.322(14.00) | 200 | 6.772(13.06) | 140 | 4.932(17.97) | 62 | Eirikite | KNa6Be2(Si15Al3)O39F2 |
| 6.322(14.00) | 200 | 7.168(12.34) | 200 | 7.288(12.13) | 200 | Friedrichite | Pb5Cu5Bi7S18 |
| 6.324(13.99) | 200 | 6.764(13.08) | 150 | 8.298(10.65) | 100 | Telyushenkoite | CsNa6[Be2(Si,Al)18O39F2] |
| 6.324(13.99) | 200 | 7.786(11.36) | 160 | 7.920(11.16) | 130 | Boggildite | Sr2Na2Al2(PO4)F9 |
| 6.326(13.99) | 200 | 6.148(14.39) | 160 | 6.796(13.02) | 160 | Eudidymite | NaBeSi3O7(OH) |
| 6.326(13.99) | 200 | 5.948(14.88) | 140 | 6.174(14.33) | 130 | Mongolite | Ca4Nb6Si5O24(OH)10·5(H2O) |
| 6.328(13.98) | 200 | 5.868(15.09) | 180 | 3.468(25.67) | 160 | Bismutocolumbite | Bi(Nb,Ta)O4 |
| 6.328(13.98) | 200 | 8.282(10.67) | 194 | 3.940(22.55) | 76 | Calomel | Hg2Cl2 |
| 6.328(13.98) | 200 | 7.266(12.17) | 160 | 5.544(15.97) | 140 | Paxite | CuAs2 |
| 6.328(13.98) | 200 | 5.164(17.16) | 74 | 4.890(18.13) | 72 | Phosphovanadylite | (Ba,Ca,K,Na)x[(V,Al)4P2(O,OH)16]·12(H2O) x~0.66 |
| 6.330(13.98) | 200 | 3.876(22.93) | 160 | 5.482(16.15) | 140 | Winstanleyite | TiTe++++3O8 |
| 6.332(13.97) | 200 | 5.958(14.86) | 120 | 6.208(14.26) | 106 | Perloffite | Ba(Mn,Fe++)2Fe+++2(PO4)3(OH)3 |