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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.
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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 2.921(30.58) | 100 | 2.580(34.74) | 49 | 2.614(34.28) | 42 | Epidote-(Sr) | CaSrAl2Fe+++(Si2O7)(SiO4)O(OH) |
| 2.921(30.58) | 100 | 2.793(32.02) | 90 | 4.205(21.11) | 75 | Spodumene | LiAlSi2O6 |
| 2.921(30.58) | 100 | 3.681(24.16) | 100 | 2.403(37.39) | 90 | Eyselite | Fe+++Ge++++3O7(OH) |
| 2.921(30.58) | 100 | 2.887(30.95) | 100 | 4.700(18.87) | 100 | Larderellite | (NH4)B5O6(OH)4 |
| 2.921(30.58) | 100 | 2.614(34.28) | 49 | 3.500(25.43) | 42 | Epidote-(Sr) | CaSrAl2Fe+++(Si2O7)(SiO4)O(OH) |
| 2.922(30.57) | 100 | 3.572(24.91) | 60 | 4.530(19.58) | 37 | Sweetite | Zn(OH)2 |
| 2.923(30.56) | 100 | 3.069(29.07) | 75 | 2.800(31.94) | 55 | Hydrodelhayelite | KCa2AlSi7O17(OH)2•6(H2O) |
| 2.924(30.55) | 100 | 4.100(21.66) | 100 | 7.250(12.20) | 70 | Petarasite | Na5Zr2Si6O18(Cl,OH)•2(H2O) |
| 2.924(30.55) | 100 | 2.665(33.60) | 90 | 2.722(32.88) | 90 | Hemloite | (As,Sb)2(Ti,V,Fe,Al)12O23OH |
| 2.924(30.55) | 100 | 2.722(32.88) | 90 | 2.665(33.60) | 90 | Hemloite | (As,Sb)2(Ti,V,Fe,Al)12O23OH |
| 2.925(30.54) | 100 | 4.640(19.11) | 100 | 3.151(28.30) | 100 | Amblygonite | (Li,Na)Al(PO4)(F,OH) |
| 2.925(30.54) | 100 | 4.320(20.54) | 75 | 9.350(9.45) | 50 | Chabazite-Ca | (Ca0.5,Na,K)4[Al4Si8O24]•12H2O |
| 2.925(30.54) | 100 | 3.151(28.30) | 100 | 4.640(19.11) | 100 | Amblygonite | (Li,Na)Al(PO4)(F,OH) |
| 2.926(30.53) | 100 | 2.101(43.02) | 80 | 2.036(44.46) | 80 | Bohdanowiczite | AgBiSe2 |
| 2.926(30.53) | 100 | 3.778(23.53) | 90 | 1.642(55.95) | 50 | Pinalite | Pb3(WO4)OCl2 |
| 2.926(30.53) | 100 | 1.700(53.89) | 60 | 2.467(36.39) | 50 | Sanmartinite | (Zn,Fe++)WO4 |
| 2.926(30.53) | 100 | 2.860(31.25) | 53 | 2.553(35.12) | 51 | Dissakisite-(La) | (Ca,Fe++,Th, La)(La,REE,Ca)(Al,Cr,Ti)2(Mg,Fe,Al)Si3O12(OH,F) with La > Ce |
| 2.926(30.53) | 100 | 2.036(44.46) | 80 | 2.101(43.02) | 80 | Bohdanowiczite | AgBiSe2 |
| 2.927(30.52) | 100 | 3.435(25.92) | 44 | 2.965(30.12) | 36 | Dixenite | Cu+Mn++14Fe+++(As+++O3)5(SiO4)2(As+++++O4)(OH)6 |
| 2.929(30.49) | 100 | 1.686(54.37) | 91 | 2.437(36.85) | 42 | IMA2007-058 | TiO2 |
| 2.929(30.49) | 50 | 1.985(45.67) | 25 | 2.155(41.89) | 25 | Zincospiroffite | Zn2Te3O8 |
| 2.929(30.49) | 50 | 1.985(45.67) | 25 | 1.599(57.60) | 25 | Zincospiroffite | Zn2Te3O8 |
| 2.929(30.49) | 100 | 2.626(34.11) | 91 | 1.686(54.37) | 42 | IMA2007-058 | TiO2 |
| 2.929(30.49) | 50 | 1.599(57.60) | 25 | 1.985(45.67) | 25 | Zincospiroffite | Zn2Te3O8 |
| 2.929(30.49) | 100 | 2.976(3-) | 100 | 3.573(24.90) | 90 | Watkinsonite | PbCu2Bi4(Se,S)8 |
| 2.930(30.48) | 100 | 2.860(31.25) | 100 | 2.140(42.19) | 90 | Tyretskite | Ca2B5O9(OH)•(H2O) |
| 2.930(30.48) | 100 | 2.507(35.79) | 40 | 2.513(35.70) | 30 | Zirconolite-2M | CaZrTi2O7 |
| 2.930(30.48) | 100 | 4.800(18.47) | 80 | 2.210(40.80) | 80 | Kafehydrocyanite | K4Fe++(CN)6•3(H2O) |
| 2.930(30.48) | 100 | 1.000(100.76) | 60 | 1.630(56.40) | 50 | Daomanite | CuPtAsS2 |
| 2.930(30.48) | 100 | 1.826(49.90) | 90 | 2.970(30.06) | 90 | Fedorite | KNa4Ca4(Al,Si)16O36(OH,F)4•6(H2O) |
| 2.930(30.48) | 100 | 12.520(7.05) | 50 | 2.180(41.38) | 50 | Steigerite | AlVO4•3(H2O) |
| 2.930(30.48) | 100 | 5.660(15.64) | 80 | 2.170(41.58) | 80 | Florencite-(Nd) | (Nd,Ce)Al3(PO4)2(OH)6 |
| 2.930(30.48) | 100 | 3.880(22.90) | 80 | 1.660(55.29) | 80 | Blixite | Pb8O5(OH)2Cl4 |
| 2.930(30.48) | 100 | 5.660(15.64) | 71 | 3.483(25.55) | 50 | Waylandite | BiAl3(PO4)2(OH)6 |
| 2.930(30.48) | 100 | 1.660(55.29) | 80 | 3.880(22.90) | 80 | Blixite | Pb8O5(OH)2Cl4 |
| 2.930(30.48) | 100 | 3.090(28.87) | 90 | 3.180(28.04) | 80 | Wolfeite | (Fe++,Mn++)2(PO4)(OH) |
| 2.930(30.48) | 100 | 3.290(27.08) | 60 | 1.000(100.76) | 50 | Daomanite | CuPtAsS2 |
| 2.930(30.48) | 100 | 2.970(30.06) | 90 | 1.826(49.90) | 90 | Fedorite | KNa4Ca4(Al,Si)16O36(OH,F)4•6(H2O) |
| 2.930(30.48) | 100 | 3.785(23.48) | 50 | 2.825(31.65) | 40 | Mereheadite | Pb2O(OH)Cl |
| 2.930(30.48) | 100 | 3.817(23.28) | 70 | 2.548(35.19) | 65 | Poppiite | Ca2(V+++,Fe+++,Mg)(V+++,Al)2(Si,Al)3(O,OH)14 |
| 2.930(30.48) | 100 | 4.320(20.54) | 65 | 6.360(13.91) | 50 | Herschelite | (Na,Ca,K)AlSi2O6•3(H2O) |
| 2.930(30.48) | 100 | 2.820(31.70) | 40 | 2.507(35.79) | 30 | Zirconolite-2M | CaZrTi2O7 |
| 2.930(30.48) | 100 | 5.670(15.62) | 90 | 2.171(41.56) | 80 | Florencite-(La) | (La,Ce)Al3(PO4)2(OH)6 |
| 2.930(30.48) | 100 | 2.725(32.84) | 90 | 4.750(18.67) | 65 | Pumpellyite-(Mn++) | Ca2(Mn++,Mg)(Al,Mn+++,Fe)2(SiO4)(Si2O7(OH)2•(H2O) |
| 2.930(30.48) | 100 | 2.210(40.80) | 80 | 4.800(18.47) | 80 | Kafehydrocyanite | K4Fe++(CN)6•3(H2O) |
| 2.930(30.48) | 100 | 2.180(41.38) | 50 | 12.520(7.05) | 50 | Steigerite | AlVO4•3(H2O) |
| 2.930(30.48) | 100 | 2.170(41.58) | 80 | 5.660(15.64) | 80 | Florencite-(Nd) | (Nd,Ce)Al3(PO4)2(OH)6 |
| 2.930(30.48) | 100 | 2.110(42.82) | 80 | 2.020(44.83) | 70 | Moncheite | (Pt,Pd)(Te,Bi)2 |
| 2.930(30.48) | 100 | 3.000(29.76) | 90 | 1.575(58.56) | 70 | Aeschynite-(Nd) | (Nd,Ce)(Ti,Nb)2(O,OH)6 |
| 2.931(30.47) | 100 | 4.060(21.87) | 70 | 7.370(12.00) | 60 | Loudounite | NaCa5Zr4Si16O40(OH)11•8(H2O) |
| 2.931(30.47) | 100 | 2.032(44.55) | 85 | 6.550(13.51) | 66 | Lingunite | (Na,Ca)AlSi3O8 |
| 2.932(30.46) | 100 | 5.864(15.10) | 89 | 3.049(29.27) | 87 | Alacranite | As8S9 |
| 2.933(30.45) | 100 | 2.559(35.04) | 85 | 3.962(22.42) | 55 | Liddicoatite | Ca(Li,Al)3Al6(BO3)3Si6O18(O,OH,F)4 |
| 2.933(30.45) | 100 | 4.490(19.76) | 90 | 2.655(33.73) | 80 | Mckelveyite-(Nd) | (Ba,Sr)(Ca,Na,Nd,REE)(CO3)2•3-10(H2O) |
| 2.933(30.45) | 100 | 2.739(32.67) | 75 | 4.550(19.49) | 70 | Arsenoclasite | Mn5(AsO4)2(OH)4 |
| 2.934(30.44) | 100 | 2.674(33.48) | 60 | 3.090(28.87) | 45 | Pyroxferroite | (Fe++,Mn)7[Si7O21] |
| 2.936(30.42) | 100 | 2.586(34.66) | 80 | 2.703(33.11) | 80 | Manganipiemontite-(Sr) | CaSr(Mn+++,Fe+++)2Al[Si3O12](OH) |
| 2.936(30.42) | 100 | 2.586(34.66) | 80 | 2.182(41.34) | 80 | Manganipiemontite-(Sr) | CaSr(Mn+++,Fe+++)2Al[Si3O12](OH) |
| 2.936(30.42) | 100 | 2.182(41.34) | 80 | 2.586(34.66) | 80 | Manganipiemontite-(Sr) | CaSr(Mn+++,Fe+++)2Al[Si3O12](OH) |
| 2.936(30.42) | 100 | 8.682(10.18) | 100 | 3.093(28.84) | 100 | Barringtonite | MgCO3•2(H2O) |
| 2.936(30.42) | 100 | 3.093(28.84) | 100 | 8.682(10.18) | 100 | Barringtonite | MgCO3•2(H2O) |
| 2.936(30.42) | 100 | 12.700(6.95) | 70 | 2.608(34.36) | 35 | Benleonardite | Ag8(Sb,As)Te2S3 |
| 2.937(30.41) | 100 | 3.195(27.90) | 65 | 3.369(26.43) | 60 | Topaz | Al2SiO4(F,OH)2 |
| 2.937(30.41) | 100 | 2.702(33.13) | 90 | 2.659(33.68) | 80 | Polyphite-VII | Na17Ca3Mg(Ti,Mn)4[Si2O7]2(PO4)6O2F6 |
| 2.937(30.41) | 100 | 2.702(33.13) | 90 | 2.659(33.68) | 80 | Polyphite-VIII | Na17Ca3Mg(Ti,Mn)4[Si2O7]2(PO4)6O2F6 |
| 2.937(30.41) | 100 | 3.888(22.85) | 51 | 7.810(11.32) | 35 | Belkovite | Ba3(Nb,Ti)6(Si2O7)2O12 |
| 2.938(30.40) | 100 | 3.175(28.08) | 100 | 3.398(26.20) | 100 | Ferrilotharmeyerite | Ca(Zn,Cu++)(Fe+++,Zn)(AsO4)2(OH,H2O)2 |
| 2.938(30.40) | 100 | 3.398(26.20) | 100 | 3.175(28.08) | 100 | Ferrilotharmeyerite | Ca(Zn,Cu++)(Fe+++,Zn)(AsO4)2(OH,H2O)2 |
| 2.938(30.40) | 100 | 3.100(28.77) | 100 | 2.998(29.78) | 100 | Manganbabingtonite | Ca2(Mn,Fe++)Fe+++Si5O14(OH) |
| 2.938(30.40) | 100 | 2.998(29.78) | 100 | 3.100(28.77) | 100 | Manganbabingtonite | Ca2(Mn,Fe++)Fe+++Si5O14(OH) |
| 2.939(30.39) | 100 | 2.640(33.93) | 100 | 11.400(7.75) | 100 | Raite | Na4Mn++4Si8(O,OH)24•9(H2O) |
| 2.940(30.38) | 100 | 1.804(50.55) | 100 | 1.539(60.07) | 100 | Tazheranite | CaTiZr2O8 |
| 2.940(30.38) | 100 | 4.670(18.99) | 80 | 13.100(6.74) | 70 | Mountainite | (Ca,Na2,K2)2Si4O10•3(H2O) |
| 2.940(30.38) | 100 | 2.880(31.03) | 100 | 3.450(25.80) | 90 | Potosiite | Pb6Sn2FeSb2S14 |
| 2.940(30.38) | 100 | 2.009(45.09) | 50 | 1.831(49.76) | 50 | IMA2008-009 | Sr5(PO4)3F |
| 2.940(30.38) | 100 | 1.472(63.11) | 50 | 3.370(26.43) | 50 | Crerarite | (Pt,Pb)Bi3(S,Se)4-x (x~0.7) |
| 2.940(30.38) | 100 | 1.801(50.64) | 80 | 1.535(60.24) | 50 | Tennantite | (Cu,Fe)12As4S13 |
| 2.940(30.38) | 100 | 1.813(50.28) | 100 | 1.548(59.68) | 100 | Lewisite | (Ca,Fe++,Na)2(Sb,Ti)2O7 |
| 2.940(30.38) | 100 | 1.710(53.55) | 90 | 2.240(40.23) | 80 | Uvanite | U++++++2V+++++6O21•15(H2O) |
| 2.940(30.38) | 100 | 3.060(29.16) | 80 | 1.890(48.10) | 60 | Rosenbuschite | (Ca,Na)3(Zr,Ti)Si2O8F |
| 2.940(30.38) | 100 | 3.000(29.76) | 90 | 3.100(28.77) | 80 | Roeblingite | Pb2Ca6(Si6O18)(SO4)2(OH)2•4(H2O) |
| 2.940(30.38) | 100 | 3.000(29.76) | 100 | 1.581(58.31) | 70 | Tantalaeschynite-(Y) | (Y,Ce,Ca)(Ta,Ti,Nb)2O6 |
| 2.940(30.38) | 100 | 2.478(36.22) | 48 | 2.863(31.22) | 45 | Kushiroite | CaAl2SiO6 |
| 2.940(30.38) | 100 | 1.983(45.72) | 90 | 2.680(33.41) | 80 | Testibiopalladite | PdTe(Sb,Te) |
| 2.940(30.38) | 100 | 1.970(46.03) | 56 | 5.040(17.58) | 53 | Paratooite-(La) | REE3(Ca,Sr)2NaCu(CO3)8 |
| 2.940(30.38) | 100 | 1.890(48.10) | 94 | 2.190(41.19) | 86 | Woodhouseite | CaAl3(PO4)(SO4)(OH)6 |
| 2.940(30.38) | 100 | 1.831(49.76) | 50 | 2.009(45.09) | 50 | IMA2008-009 | Sr5(PO4)3F |
| 2.940(30.38) | 100 | 1.814(50.25) | 30 | 1.837(49.58) | 25 | Kutnohorite | Ca(Mn,Mg,Fe++)(CO3)2 |
| 2.940(30.38) | 100 | 3.107(28.71) | 90 | 3.221(27.67) | 70 | Triploidite | (Mn,Fe++)2(PO4)(OH) |
| 2.940(30.38) | 100 | 3.290(27.08) | 100 | 1.650(55.66) | 80 | Bazzite | Be3(Sc,Al)2Si6O18 |
| 2.940(30.38) | 100 | 3.370(26.43) | 50 | 1.472(63.11) | 50 | Crerarite | (Pt,Pb)Bi3(S,Se)4-x (x~0.7) |
| 2.940(30.38) | 100 | 4.430(20.03) | 90 | 2.890(30.92) | 80 | Orthojoaquinite-(Ce) | NaFe++Ba2Ce2Ti2[Si4O12]2 O2(OH)•(H2O) |
| 2.940(30.38) | 100 | 5.920(14.95) | 60 | 4.440(19.98) | 40 | Paranatrolite | Na2[Al2Si3O10]•3(H2O) |
| 2.940(30.38) | 100 | 6.600(13.40) | 80 | 4.670(18.99) | 70 | Mountainite | (Ca,Na2,K2)2Si4O10•3(H2O) |
| 2.941(30.37) | 100 | 4.750(18.67) | 45 | 3.752(23.69) | 35 | Ferberite | Fe++WO4 |
| 2.941(30.37) | 100 | 3.185(27.99) | 100 | 3.824(23.24) | 94 | Mazzite-Mg | K2CaMg2(Al,Si)36O72•28(H2O) |
| 2.942(30.36) | 100 | 4.054(21.91) | 60 | 2.139(42.21) | 35 | Phosphohedyphane | Ca2Pb3(PO4)3Cl |
| 2.943(30.35) | 100 | 1.805(50.52) | 70 | 3.074(29.02) | 60 | Putzite | (Cu4.7Ag3.3)GeS6 |
| 2.943(30.35) | 100 | 3.445(25.84) | 90 | 4.480(19.80) | 90 | Stillwellite-(Ce) | (Ce,La,Ca)BSiO5 |
| 2.943(30.35) | 100 | 4.480(19.80) | 90 | 3.445(25.84) | 90 | Stillwellite-(Ce) | (Ce,La,Ca)BSiO5 |
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