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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.
|
Selected X-Ray λ |
Change X-Ray λ |
D1 Å |
D2 Å |
D3 Å |
Tolerance % |
Elements |
|---|
[ 1 ] [ 2 ] [ 3 ] [ 4 ] [ 5 ] [ 6 ]
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 3.064(29.12) | 100 | 1.876(48.48) | 70 | 1.611(57.13) | 60 | Gallite | CuGaS2 |
| 3.064(29.12) | 100 | 4.654(19.05) | 80 | 3.348(26.60) | 80 | Rajite | CuTe++++2O5 |
| 3.064(29.12) | 100 | 3.348(26.60) | 80 | 4.654(19.05) | 80 | Rajite | CuTe++++2O5 |
| 3.065(29.11) | 100 | 3.062(29.14) | 100 | 2.730(32.78) | 89 | Dickinsonite-(KMnNa) | KNaMnNa3Ca(Mn,Fe,Mg)13Al(PO4)11(PO4)(OH,F)2 |
| 3.065(29.11) | 100 | 2.857(31.28) | 90 | 4.162(21.33) | 80 | Monazite-(Sm) | SmPO4 |
| 3.065(29.11) | 100 | 3.147(28.34) | 76 | 2.548(35.19) | 29 | Ameghinite | NaB3O3(OH)4 |
| 3.066(29.10) | 100 | 5.933(14.92) | 95 | 1.829(49.81) | 70 | Plumbojarosite | PbFe+++6(SO4)4(OH)12 |
| 3.066(29.10) | 100 | 2.242(40.19) | 70 | 3.583(24.83) | 50 | Nordstromite | Pb3CuBi7(S10Se4) |
| 3.066(29.10) | 100 | 1.933(46.97) | 55 | 2.546(35.22) | 12 | Tetrarooseveltite | BiAsO4 |
| 3.067(29.09) | 100 | 2.946(30.31) | 31 | 2.744(32.61) | 28 | Massicot | PbO |
| 3.067(29.09) | 100 | 1.910(47.57) | 80 | 2.710(33.03) | 78 | IMA2008-039 | (NH4)3PbCl5 |
| 3.067(29.09) | 100 | 2.020(44.83) | 80 | 1.910(47.57) | 78 | IMA2008-039 | (NH4)3PbCl5 |
| 3.068(29.08) | 100 | 7.350(12.03) | 90 | 10.290(8.59) | 80 | Goldichite | KFe+++(SO4)2•4(H2O) |
| 3.068(29.08) | 100 | 3.623(24.55) | 92 | 3.995(22.23) | 65 | Manganonaujakasite | Na6(Mn,Fe++ )Al4Si8O26 |
| 3.069(29.07) | 100 | 4.250(20.88) | 75 | 4.015(22.12) | 70 | Nepheline | (Na,K)AlSiO4 |
| 3.070(29.06) | 100 | 1.331(70.72) | 100 | 1.884(48.27) | 80 | Maikainite | Cu20(Fe,Cu)6Mo2Ge6S32 |
| 3.070(29.06) | 100 | 2.260(39.86) | 100 | 2.110(42.82) | 90 | Sobolevskite | PdBi |
| 3.070(29.06) | 100 | 2.770(32.29) | 100 | 3.210(27.77) | 80 | Talmessite | Ca2Mg(AsO4)2•2(H2O) |
| 3.070(29.06) | 100 | 2.990(29.86) | 100 | 2.812(31.80) | 100 | Jeppeite | (K,Ba)2(Ti,Fe+++)6O13 |
| 3.070(29.06) | 100 | 3.590(24.78) | 100 | 3.310(26.91) | 100 | Polylithionite | KLi2AlSi4O10(F,OH)2 |
| 3.070(29.06) | 100 | 3.260(27.33) | 90 | 2.860(31.25) | 90 | Cheralite-(Ce) | (Ce,Ca,Th)(P,Si)O4 |
| 3.070(29.06) | 100 | 2.180(41.38) | 30 | 2.160(41.78) | 30 | Stistaite | SnSb |
| 3.070(29.06) | 100 | 2.740(32.65) | 60 | 2.080(43.47) | 60 | Chambersite | Mn3B7O13Cl |
| 3.070(29.06) | 100 | 3.052(29.24) | 100 | 4.195(21.16) | 100 | Anthoinite | AlWO3(OH)3 |
| 3.070(29.06) | 100 | 3.460(25.73) | 84 | 3.260(27.33) | 84 | Lithosite | K6Al4Si8O25•(H2O) |
| 3.070(29.06) | 100 | 6.160(14.37) | 85 | 3.210(27.77) | 75 | Kalipyrochlore | (H2O,Sr)(Nb,Ti)(O,OH)6•(H2O,K) |
| 3.070(29.06) | 100 | 1.240(76.81) | 90 | 1.910(47.57) | 80 | Cuprotungstite | Cu++3(WO4)2(OH)2 |
| 3.070(29.06) | 100 | 3.100(28.77) | 100 | 2.860(31.25) | 80 | Thoreaulite | Sn++Ta2O6 |
| 3.070(29.06) | 100 | 2.860(31.25) | 90 | 3.260(27.33) | 90 | Cheralite-(Ce) | (Ce,Ca,Th)(P,Si)O4 |
| 3.070(29.06) | 100 | 2.730(32.78) | 60 | 3.250(27.42) | 40 | Cuprobismutite | Cu10Bi12S23 |
| 3.070(29.06) | 100 | 2.480(36.19) | 90 | 3.930(22.61) | 40 | Chalcothallite | (Cu,Fe)6Tl2SbS4 |
| 3.070(29.06) | 100 | 2.160(41.78) | 30 | 2.180(41.38) | 30 | Stistaite | SnSb |
| 3.070(29.06) | 100 | 2.080(43.47) | 60 | 2.740(32.65) | 60 | Chambersite | Mn3B7O13Cl |
| 3.070(29.06) | 100 | 1.890(48.10) | 80 | 1.600(57.56) | 60 | Mooihoekite | Cu9Fe9S16 |
| 3.070(29.06) | 100 | 1.880(48.37) | 80 | 1.890(48.10) | 60 | Haycockite | Cu4Fe5S8 |
| 3.070(29.06) | 100 | 1.843(49.41) | 70 | 2.750(32.53) | 50 | Hauerite | MnS2 |
| 3.070(29.06) | 100 | 3.260(27.33) | 84 | 3.460(25.73) | 84 | Lithosite | K6Al4Si8O25•(H2O) |
| 3.070(29.06) | 100 | 3.310(26.91) | 100 | 3.590(24.78) | 100 | Polylithionite | KLi2AlSi4O10(F,OH)2 |
| 3.070(29.06) | 100 | 5.960(14.85) | 90 | 3.670(24.23) | 60 | Kintoreite | PbFe+++3(PO4)2(OH,H2O)6 |
| 3.071(29.05) | 100 | 3.929(22.61) | 70 | 2.558(35.05) | 40 | Panunzite | (K,Na)AlSiO4 |
| 3.071(29.05) | 100 | 4.698(18.87) | 72 | 3.279(27.17) | 69 | Helmutwinklerite | PbZn2(AsO4)2•2(H2O) |
| 3.072(29.04) | 100 | 2.246(40.11) | 100 | 2.112(42.78) | 80 | Laitakarite | Bi4(Se,S)3 |
| 3.073(29.03) | 100 | 5.426(16.32) | 63 | 3.141(28.39) | 39 | Dovyrenite | Ca6Zr[Si2O7]2(OH)4 |
| 3.073(29.03) | 100 | 3.119(28.60) | 60 | 2.464(36.43) | 50 | IMA2009-016 | Cu4H(AsO4)2(OH)3•H2O |
| 3.073(29.03) | 100 | 5.900(15.00) | 90 | 1.971(46.01) | 50 | Springcreekite | BaV+++3(PO4)2(OH,H2O)6 |
| 3.074(29.02) | 100 | 3.192(27.93) | 100 | 2.706(33.08) | 40 | Gabrielsonite | PbFe++(AsO4)(OH) |
| 3.074(29.02) | 100 | 2.090(43.25) | 80 | 2.267(39.73) | 70 | Skippenite | Bi2Se2(Te,S) |
| 3.075(29.01) | 100 | 3.019(29.56) | 80 | 2.843(31.44) | 50 | Dervillite | Ag2AsS2 |
| 3.075(29.01) | 100 | 1.880(48.37) | 80 | 1.600(57.56) | 60 | Colusite | Cu12-13V(As,Sb,Sn,Ge)3S16 |
| 3.076(29.00) | 100 | 3.370(26.43) | 80 | 2.950(30.27) | 67 | Rebulite | Tl5Sb5As8S22 |
| 3.076(29.00) | 100 | 3.050(29.26) | 95 | 2.558(35.05) | 45 | Trikalsilite | (K,Na)AlSiO4 |
| 3.076(29.00) | 100 | 2.950(30.27) | 80 | 2.186(41.26) | 67 | Rebulite | Tl5Sb5As8S22 |
| 3.077(28.99) | 100 | 2.814(31.77) | 100 | 3.630(24.50) | 90 | Gillulyite | Tl2(As,Sb)8S13 |
| 3.077(28.99) | 100 | 2.275(39.58) | 60 | 3.591(24.77) | 60 | Vergasovaite | Cu3O[(Mo,S)O4][SO4] |
| 3.077(28.99) | 100 | 2.955(30.22) | 50 | 2.031(44.58) | 50 | Nacareniobsite-(Ce) | NbNa3Ca3(Ce,La)(Si2O7)2OF3 |
| 3.077(28.99) | 100 | 2.031(44.58) | 50 | 2.955(30.22) | 50 | Nacareniobsite-(Ce) | NbNa3Ca3(Ce,La)(Si2O7)2OF3 |
| 3.077(28.99) | 100 | 2.400(37.44) | 40 | 3.121(28.58) | 30 | Attakolite | (Ca,Sr)Mn++(Al,Fe+++)4[(Si,P)O4]H(PO4)3(OH)4 |
| 3.077(28.99) | 100 | 3.301(26.99) | 45 | 2.697(33.19) | 25 | Fresnoite | Ba2TiSi2O8 |
| 3.077(28.99) | 100 | 2.275(39.58) | 60 | 2.500(35.89) | 60 | Vergasovaite | Cu3O[(Mo,S)O4][SO4] |
| 3.077(28.99) | 100 | 3.591(24.77) | 60 | 2.275(39.58) | 60 | Vergasovaite | Cu3O[(Mo,S)O4][SO4] |
| 3.078(28.99) | 100 | 2.988(29.88) | 75 | 2.960(30.17) | 40 | Tarapacaite | K2CrO4 |
| 3.078(28.99) | 100 | 12.300(7.18) | 35 | 6.158(14.37) | 25 | Delhayelite | (Na,K)10Ca5Al6Si32O80(Cl2,F2,SO4)3•18(H2O) |
| 3.078(28.99) | 100 | 2.393(37.55) | 100 | 3.800(23.39) | 90 | Rohaite | TlCu5SbS2 |
| 3.080(28.97) | 100 | 2.110(42.82) | 50 | 2.240(40.23) | 50 | Joseite | Bi4(S,Te)3 |
| 3.080(28.97) | 100 | 2.150(41.99) | 90 | 2.800(31.94) | 60 | Polkovicite | (Fe,Pb)3(Ge,Fe)1-xS4 |
| 3.080(28.97) | 100 | 1.888(48.16) | 80 | 3.160(28.22) | 70 | Polhemusite | (Zn,Hg)S |
| 3.080(28.97) | 100 | 2.150(41.99) | 90 | 2.800(31.94) | 60 | Morozeviczite | (Pb,Fe)3Ge1-xS4 |
| 3.080(28.97) | 100 | 3.860(23.02) | 80 | 3.550(25.06) | 80 | Allochalcoselite | Cu+Cu++5PbO2(SeO3)2Cl5 |
| 3.080(28.97) | 100 | 2.580(34.74) | 90 | 2.890(30.92) | 60 | Stephanite | Ag5SbS4 |
| 3.080(28.97) | 100 | 2.907(30.73) | 80 | 1.641(55.99) | 80 | Canasite | (Na,K)6Ca5Si12O30(OH,F)4 |
| 3.080(28.97) | 100 | 2.240(40.23) | 50 | 2.110(42.82) | 50 | Joseite | Bi4(S,Te)3 |
| 3.080(28.97) | 100 | 1.887(48.18) | 70 | 1.612(57.09) | 50 | Ovamboite | Cu20(Fe,Cu,Zn)6W2Ge6S32 |
| 3.080(28.97) | 100 | 2.780(32.17) | 90 | 9.200(9.61) | 90 | Hydroglauberite | Na4Ca(SO4)3•2(H2O) |
| 3.080(28.97) | 100 | 4.200(21.14) | 100 | 3.580(24.85) | 100 | Dalyite | K2ZrSi6O15 |
| 3.080(28.97) | 100 | 1.641(55.99) | 80 | 2.907(30.73) | 80 | Canasite | (Na,K)6Ca5Si12O30(OH,F)4 |
| 3.080(28.97) | 100 | 2.483(36.15) | 100 | 3.220(27.68) | 80 | Blossite | Cu2V+++++2O7 |
| 3.080(28.97) | 100 | 2.550(35.16) | 100 | 3.480(25.58) | 90 | Prehnite | Ca2Al2Si3O10(OH)2 |
| 3.080(28.97) | 100 | 2.790(32.05) | 90 | 3.440(25.88) | 80 | Kalborsite | K6Al4Si6BO20(OH)4Cl |
| 3.080(28.97) | 100 | 2.820(31.70) | 90 | 2.010(45.07) | 60 | Tornebohmite-(Ce) | (Ce,La,Nd)2Al(SiO4)2(OH) |
| 3.080(28.97) | 100 | 3.260(27.33) | 100 | 2.483(36.15) | 80 | Blossite | Cu2V+++++2O7 |
| 3.080(28.97) | 100 | 3.280(27.16) | 60 | 2.846(31.41) | 50 | Monazite-(Nd) | (Nd,Ce,La)(P,Si)O4 |
| 3.080(28.97) | 100 | 3.550(25.06) | 80 | 3.860(23.02) | 80 | Allochalcoselite | Cu+Cu++5PbO2(SeO3)2Cl5 |
| 3.080(28.97) | 100 | 3.580(24.85) | 100 | 4.200(21.14) | 100 | Dalyite | K2ZrSi6O15 |
| 3.080(28.97) | 100 | 3.670(24.23) | 80 | 4.030(22.04) | 60 | Douglasite | K2Fe++Cl4•2(H2O) |
| 3.080(28.97) | 100 | 3.920(22.66) | 40 | 2.536(35.36) | 30 | Benstonite | (Ba,Sr)6(Ca,Mn)6Mg(CO3)13 |
| 3.080(28.97) | 100 | 5.990(14.78) | 80 | 3.670(24.23) | 70 | Beudantite | PbFe+++3(AsO4)(SO4)(OH)6 |
| 3.080(28.97) | 100 | 3.200(27.86) | 90 | 2.840(31.47) | 60 | Orickite | CuFeS2•(H2O) |
| 3.080(28.97) | 100 | 4.030(22.04) | 80 | 4.160(21.34) | 60 | Douglasite | K2Fe++Cl4•2(H2O) |
| 3.080(28.97) | 100 | 3.440(25.88) | 90 | 2.940(30.38) | 80 | Kalborsite | K6Al4Si6BO20(OH)4Cl |
| 3.080(28.97) | 100 | 1.980(45.79) | 100 | 1.892(48.05) | 100 | Hypercinnabar | HgS |
| 3.080(28.97) | 100 | 9.200(9.61) | 90 | 2.780(32.17) | 90 | Hydroglauberite | Na4Ca(SO4)3•2(H2O) |
| 3.080(28.97) | 100 | 2.640(33.93) | 70 | 4.260(20.83) | 60 | Megacyclite | Na8KSi9O18(OH)9•19(H2O) |
| 3.080(28.97) | 100 | 2.938(30.40) | 70 | 2.640(33.93) | 60 | Megacyclite | Na8KSi9O18(OH)9•19(H2O) |
| 3.080(28.97) | 100 | 3.110(28.68) | 60 | 2.292(39.28) | 50 | Jarosite | KFe+++3(SO4)2(OH)6 |
| 3.081(28.96) | 100 | 8.277(10.68) | 81 | 3.261(27.33) | 74 | Paulingite-K | (K2,Ca,Na2,Ba)5Al10Si35O90•45(H2O) |
| 3.081(28.96) | 100 | 8.277(10.68) | 81 | 3.261(27.33) | 74 | Paulingite-Ca | (Ca,K,Na,Ba)5[Al10Si35O84]•34(H2O) |
| 3.081(28.96) | 100 | 3.156(28.25) | 100 | 2.957(30.20) | 90 | Kingstonite | (Rh,Ir,Pt)3S4 |
| 3.084(28.93) | 100 | 3.271(27.24) | 31 | 3.135(28.45) | 27 | Percleveite-(Ce) | (Ce,La,Nd)2Si2O7 |
| 3.085(28.92) | 100 | 2.828(31.61) | 50 | 2.697(33.19) | 40 | Xonotlite | Ca6Si6O17(OH)2 |
| 3.087(28.90) | 100 | 5.600(15.81) | 60 | 3.336(26.70) | 53 | Kostylevite | K2ZrSi3O9•(H2O) |
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