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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 |
| 6.194(14.29) | 200 | 9.300(9.50) | 140 | 18.560(4.76) | 140 | Juabite | (Ca,Fe++)Cu10(Te++++O3)4(As+++++O4)4(OH)2·4(H2O) |
| 6.196(14.28) | 200 | 16.732(5.28) | 184 | 5.096(17.39) | 116 | Protomangano-ferro-anthophyllite | (Mn++,Fe++)2(Fe++,Mg)5(Si4O11)2(OH)2 |
| 6.196(14.28) | 200 | 6.864(12.89) | 100 | 5.540(15.98) | 30 | Coesite | SiO2 |
| 6.200(14.27) | 200 | 6.920(12.78) | 160 | 3.836(23.17) | 120 | Spriggite | Pb3[(UO2)6O8(OH)2](H2O)x; x ~ 3 |
| 6.200(14.27) | 200 | 6.056(14.61) | 180 | 3.520(25.28) | 120 | Changbaiite | PbNb2O6 |
| 6.200(14.27) | 200 | 3.806(23.35) | 160 | 3.220(27.68) | 120 | Lautite | CuAsS |
| 6.200(14.27) | 200 | 3.784(23.49) | 180 | 3.228(27.61) | 140 | Stibiocolusite | Cu13V(Sb,As,Sn)3S16 |
| 6.200(14.27) | 200 | 9.520(9.28) | 110 | 6.144(14.40) | 60 | Scheelite | CaWO4 |
| 6.200(14.27) | 200 | 3.858(23.03) | 60 | 9.520(9.28) | 50 | Powellite | CaMoO4 |
| 6.200(14.27) | 200 | 3.840(23.14) | 160 | 3.780(23.52) | 140 | Barquillite | Cu2CdGeS4 |
| 6.200(14.27) | 200 | 8.500(10.40) | 180 | 8.840(1-) | 160 | Sanderite | MgSO4·2(H2O) |
| 6.200(14.27) | 200 | 10.200(8.66) | 120 | 3.980(22.32) | 80 | Ammoniojarosite | (NH4)Fe+++3(SO4)2(OH)6 |
| 6.200(14.27) | 200 | 16.444(5.37) | 122 | 5.482(16.15) | 106 | Ferri-clinoholmquistite | [ ]Li2Mg3(Fe3+)2(Si8O22)(OH)2 |
| 6.200(14.27) | 200 | 3.764(23.62) | 180 | 3.262(27.32) | 100 | Fergusonite-(Ce) | (Ce,La,Y)NbO4 |
| 6.200(14.27) | 200 | 5.420(16.34) | 160 | 6.800(13.01) | 140 | Eckermannite | NaNa2(Mg4Al)Si8O22(OH)2 |
| 6.200(14.27) | 200 | 5.620(15.76) | 80 | 5.500(16.10) | 60 | Thalenite-(Y) | Y3Si3O10(OH) |
| 6.204(14.26) | 200 | 5.430(16.31) | 160 | 7.240(12.21) | 160 | Hodrushite | Cu8Bi12S22 |
| 6.208(14.26) | 200 | 13.200(6.69) | 172 | 6.576(13.45) | 150 | Hemimorphite | Zn4Si2O7(OH)2·(H2O) |
| 6.208(14.26) | 200 | 6.932(12.76) | 120 | 3.084(28.93) | 100 | Coronadite | Pb(Mn++++,Mn++)8O16 |
| 6.208(14.26) | 200 | 4.972(17.82) | 140 | 3.344(26.63) | 60 | Theoparacelsite | Cu3(OH)2(As2O7) |
| 6.208(14.26) | 200 | 3.794(23.43) | 140 | 3.656(24.33) | 100 | Wilhelmramsayite | Cu3FeS3·2(H2O) |
| 6.214(14.24) | 200 | 3.804(23.37) | 126 | 3.246(27.45) | 108 | IMA2009-032 | CaUO4 |
| 6.216(14.24) | 200 | 5.854(15.12) | 160 | 6.088(14.54) | 140 | Kulanite | Ba(Fe++,Mn,Mg)2Al2(PO4)3(OH)3 |
| 6.216(14.24) | 200 | 3.804(23.37) | 130 | 3.247(27.45) | 70 | Famatinite | Cu3SbS4 |
| 6.218(14.23) | 200 | 4.496(19.73) | 140 | 2.736(32.70) | 134 | Antimony | Sb |
| 6.220(14.23) | 200 | 7.400(11.95) | 180 | 5.200(17.04) | 140 | Burckhardtite | Pb2(Fe+++,Mn+++)Te++++(AlSi3O10)O2(OH)2·(H2O) |
| 6.220(14.23) | 200 | 4.560(19.45) | 120 | 4.260(20.83) | 100 | Ingodite | Bi(S,Te) |
| 6.220(14.23) | 200 | 12.120(7.29) | 180 | 3.686(24.12) | 160 | Arsenobismite | Bi2(AsO4)(OH)3 |
| 6.220(14.23) | 200 | 4.472(19.84) | 120 | 5.700(15.53) | 120 | Bakerite | Ca4B4(BO4)(SiO4)3(OH)3·(H2O) |
| 6.220(14.23) | 200 | 31.120(2.84) | 180 | 5.330(16.62) | 140 | Shkatulkalite | {(Na,Mn,Ca,[ ])4[Nb2(O,H2O)4Si4O14](OH,F)2}·2(H2O,[ ]) |
| 6.220(14.23) | 200 | 6.260(14.14) | 200 | 5.860(15.11) | 90 | Thortveitite | (Sc,Y)2Si2O7 |
| 6.220(14.23) | 200 | 6.100(14.51) | 100 | 6.500(13.61) | 100 | Walpurgite | Bi4(UO2)(AsO4)2O4·2(H2O) |
| 6.220(14.23) | 200 | 9.980(8.85) | 200 | 11.700(7.55) | 120 | Parabutlerite | Fe+++(SO4)(OH)·2(H2O) |
| 6.220(14.23) | 200 | 3.812(23.32) | 140 | 3.242(27.49) | 40 | Stannoidite | Cu8Fe3Sn2S12 |
| 6.220(14.23) | 200 | 4.800(18.47) | 120 | 3.240(27.51) | 100 | Argutite | GeO2 |
| 6.220(14.23) | 200 | 3.838(23.16) | 100 | 3.716(23.93) | 60 | Hemusite | Cu6SnMoS8 |
| 6.224(14.22) | 200 | 11.894(7.43) | 174 | 7.332(12.06) | 68 | Dorallcharite | (Tl,K)Fe+++3(SO4)2(OH)6 |
| 6.224(14.22) | 200 | 5.964(14.84) | 80 | 4.254(20.86) | 40 | IMA2009-001 | Ba5(Ca,REE,Y)22(Ti,Nb)18(SiO4)4[(PO4),(SiO4)]4(BO3)9O22[(OH),F]43(H2O)1.5 |
| 6.226(14.21) | 200 | 6.662(13.28) | 90 | 8.100(10.91) | 90 | Rhomboclase | (H5O2)+Fe+++(SO4)2·2(H2O) |
| 6.226(14.21) | 200 | 7.024(12.59) | 180 | 14.020(6.30) | 160 | Sayrite | Pb2(UO2)5O6(OH)2·4(H2O) |
| 6.228(14.21) | 200 | 8.624(10.25) | 96 | 12.788(6.91) | 72 | Mackelveyite-(Y) | NaBa3CaY(CO3)3(OH)6·3H2O |
| 6.228(14.21) | 200 | 8.766(10.08) | 170 | 11.018(8.02) | 120 | Strengite | Fe+++PO4·2(H2O) |
| 6.228(14.21) | 200 | 5.710(15.51) | 130 | 4.378(20.27) | 120 | Datolite | CaBSiO4(OH) |
| 6.228(14.21) | 200 | 12.068(7.32) | 90 | 4.560(19.45) | 74 | IMA2008-063 | Pb[Zn0.25,[ ]0.75]Fe3H(AsO4)2(OH)6 |
| 6.230(14.20) | 200 | 5.618(15.76) | 124 | 3.744(23.75) | 74 | Litharge | PbO |
| 6.232(14.20) | 200 | 12.420(7.11) | 144 | 14.420(6.12) | 140 | Yegorovite | Na4[Si2O4(OH)2]2·7H2O |
| 6.232(14.20) | 200 | 4.564(19.43) | 151 | 9.100(9.71) | 111 | Vihorlatite | Bi24Se17Te4 |
| 6.232(14.20) | 200 | 5.520(16.04) | 180 | 8.974(9.85) | 180 | Calcioandyrobertsite-2O | KCaCu5(AsO4)4[As(OH)2O2]·2(H2O) |
| 6.234(14.20) | 200 | 3.680(24.16) | 160 | 5.444(16.27) | 100 | Scrutinyite | PbO2 |
| 6.236(14.19) | 200 | 3.688(24.11) | 100 | 3.190(27.95) | 90 | Samaniite | Cu2Fe5Ni2S8 |
| 6.236(14.19) | 200 | 6.180(14.32) | 190 | 18.800(4.70) | 160 | Chaidamuite | (Zn,Fe++)Fe+++(SO4)2(OH)·4(H2O) |
| 6.236(14.19) | 200 | 6.010(14.73) | 120 | 3.274(27.22) | 100 | Petewilliamsite | (Ni,Co,Cu)30(As2O7)15 |
| 6.238(14.19) | 200 | 5.116(17.32) | 200 | 3.120(28.59) | 160 | Harrisonite | Ca(Fe++,Mg)6(PO4)2(SiO4)2 |
| 6.238(14.19) | 200 | 7.320(12.08) | 160 | 5.036(17.60) | 150 | Phenakite | Be2SiO4 |
| 6.240(14.18) | 200 | 5.910(14.98) | 190 | 3.800(23.39) | 150 | Fergusonite-beta-(Y) | YNbO4 |
| 6.240(14.18) | 200 | 4.620(19.20) | 100 | 9.840(8.98) | 80 | Kawazulite | Bi2(Te,Se,S)3 |
| 6.240(14.18) | 200 | 6.620(13.36) | 170 | 4.300(20.64) | 80 | Monazite-(La) | (La,Ce,Nd)PO4 |
| 6.240(14.18) | 200 | 5.740(15.42) | 140 | 5.040(17.58) | 60 | Tanteuxenite-(Y) | (Y,Ce,Ca)(Ta,Nb,Ti)2(O,OH)6 |
| 6.240(14.18) | 200 | 4.560(19.45) | 66 | 9.320(9.48) | 38 | Telluronevskite | Bi3TeSe2 |
| 6.240(14.18) | 200 | 16.400(5.38) | 150 | 5.596(15.82) | 80 | Magnesio-arfvedsonite | NaNa2(Mg4Fe++)Si8O22(OH)2 |
| 6.240(14.18) | 200 | 5.920(14.95) | 180 | 3.802(23.38) | 100 | Fergusonite-(Y) | YNbO4 |
| 6.240(14.18) | 200 | 44.000(2.01) | 200 | 22.000(4.01) | 160 | Gyrolite | NaCa16Si23AlO60(OH)8·64(H2O) |
| 6.240(14.18) | 200 | 3.808(23.34) | 180 | 5.460(16.22) | 160 | Kalistrontite | K2Sr(SO4)2 |
| 6.240(14.18) | 200 | 12.920(6.84) | 146 | 11.900(7.42) | 140 | Georgechaoite | KNaZrSi3O9·2(H2O) |
| 6.240(14.18) | 200 | 3.592(24.77) | 180 | 2.346(38.34) | 140 | IMA2009-015 | NaSrCeF6 |
| 6.240(14.18) | 200 | 11.860(7.45) | 120 | 5.160(17.17) | 100 | Rhodostannite | Cu2FeSn3S8 |
| 6.240(14.18) | 200 | 4.506(19.69) | 160 | 5.656(15.65) | 160 | Fluorthalenite-(Y) | Y3Si3O10F |
| 6.240(14.18) | 200 | 7.760(11.39) | 140 | 8.720(10.14) | 140 | Kvanefjeldite | Na4(Ca,Mn)Si6O14(OH)2 |
| 6.240(14.18) | 200 | 18.200(4.85) | 180 | 9.200(9.61) | 140 | Lanthanite-(La) | (La,Ce)2(CO3)3·8(H2O) |
| 6.240(14.18) | 200 | 3.818(23.28) | 108 | 3.254(27.39) | 80 | Aktashite | Cu6Hg3As4S12 |
| 6.240(14.18) | 200 | 5.160(17.17) | 100 | 7.940(11.13) | 90 | Kalsilite | KAlSiO4 |
| 6.240(14.18) | 200 | 16.860(5.24) | 160 | 6.534(13.54) | 80 | Edenite | NaCa2Mg5Si7AlO22(OH)2 |
| 6.240(14.18) | 200 | 16.760(5.27) | 200 | 5.420(16.34) | 180 | Tremolite | [ ]Ca2Mg5Si8O22(OH)2 |
| 6.240(14.18) | 200 | 3.830(23.20) | 110 | 3.266(27.28) | 60 | Nantokite | CuCl |
| 6.244(14.17) | 200 | 16.798(5.26) | 112 | 5.596(15.82) | 96 | Leakeite | NaNa2(Mg2Fe+++2Li)Si8O22(OH)2 |
| 6.244(14.17) | 200 | 14.240(6.20) | 160 | 7.100(12.46) | 120 | Richetite | PbU++++++4O13·4(H2O) |
| 6.246(14.17) | 200 | 4.324(20.52) | 80 | 5.608(15.79) | 60 | Paulkellerite | Bi2Fe+++(PO4)O2(OH)2 |
| 6.246(14.17) | 200 | 3.824(23.24) | 102 | 3.266(27.28) | 60 | Sphalerite | (Zn,Fe)S |
| 6.246(14.17) | 200 | 7.446(11.88) | 200 | 5.282(16.77) | 160 | Magnesiochlorophoenicite | (Mg,Mn)3Zn2(AsO4)(OH,O)6 |
| 6.248(14.16) | 200 | 3.826(23.23) | 102 | 3.264(27.30) | 88 | Cerianite-(Ce) | (Ce++++,Th)O2 |
| 6.248(14.16) | 200 | 11.680(7.56) | 160 | 11.860(7.45) | 160 | Gaidonnayite | Na2ZrSi3O9·2(H2O) |
| 6.248(14.16) | 200 | 16.860(5.24) | 80 | 6.538(13.53) | 70 | Pargasite | NaCa2(Mg,Fe++)4Al(Si6Al2)O22(OH)2 |
| 6.248(14.16) | 200 | 16.842(5.24) | 122 | 6.542(13.52) | 122 | Fluoro-magnesiohastingsite | (Na,K)Ca2(Mg,Fe+++,Ti)5(Si,Al)8O22F2 |
| 6.250(14.16) | 200 | 6.280(14.09) | 180 | 8.036(11.00) | 80 | Barytocalcite | BaCa(CO3)2 |
| 6.250(14.16) | 200 | 16.806(5.25) | 120 | 6.542(13.52) | 100 | Fluoro-edenite | NaCa2Mg5Si7AlO22(F,OH)2 |
| 6.256(14.15) | 200 | 3.836(23.17) | 100 | 3.274(27.22) | 60 | Geerite | Cu8S5 |
| 6.256(14.15) | 200 | 14.160(6.24) | 200 | 6.970(12.69) | 160 | Agrinierite | (K2,Ca,Sr)U3O10·4(H2O) |
| 6.256(14.15) | 200 | 6.142(14.41) | 140 | 7.192(12.30) | 140 | Kupcikite | Cu3.4Fe0.6Bi5S10 |
| 6.258(14.14) | 200 | 16.840(5.24) | 68 | 5.608(15.79) | 56 | Fluoro-magnesio-arfvedsonite | NaNa2(Mg,Fe++)4Fe+++[Si8O22](F,OH)2 |
| 6.260(14.14) | 200 | 16.900(5.22) | 160 | 17.080(5.17) | 160 | Cordierite | Mg2Al4Si5O18 |
| 6.260(14.14) | 200 | 7.700(11.48) | 100 | 11.280(7.83) | 100 | Colemanite | Ca2B6O11·5(H2O) |
| 6.260(14.14) | 200 | 5.760(15.37) | 120 | 7.280(12.15) | 100 | Alumotantite | AlTaO4 |
| 6.260(14.14) | 200 | 3.644(24.41) | 160 | 6.500(13.61) | 160 | Phyllotungstite | CaFe+++3H(WO4)6·10(H2O) |
| 6.260(14.14) | 200 | 5.320(16.65) | 160 | 12.440(7.10) | 160 | Glauberite | Na2Ca(SO4)2 |
| 6.260(14.14) | 200 | 5.920(14.95) | 120 | 7.100(12.46) | 120 | Stibiotantalite | SbTaO4 |
| 6.260(14.14) | 200 | 5.894(15.02) | 60 | 3.470(25.65) | 40 | Stibiocolumbite | SbNbO4 |
| 6.260(14.14) | 200 | 3.838(23.16) | 100 | 3.268(27.27) | 80 | Rudashevskyite | (Fe,Zn)S |
| 6.260(14.14) | 200 | 3.828(23.22) | 160 | 3.280(27.16) | 120 | Kuramite | Cu3SnS4 |
| 6.260(14.14) | 200 | 2.220(40.60) | 120 | 3.830(23.20) | 120 | Petrukite | (Cu,Fe,Zn)2(Sn,In)S4 |
| 6.260(14.14) | 200 | 5.860(15.11) | 180 | 3.140(28.40) | 140 | Formanite-(Y) | YTaO4 |