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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 |
| 2.915(30.64) | 100 | 1.895(47.97) | 75 | 2.756(32.46) | 61 | Takedaite | Ca3(BO3)2 |
| 2.915(30.64) | 100 | 2.709(33.04) | 70 | 2.852(31.34) | 30 | Dollaseite-(Ce) | CaCeMg2AlSi3O11(OH,F)2 |
| 2.915(30.64) | 100 | 2.793(32.02) | 90 | 2.017(44.90) | 74 | Tin | Sn |
| 2.915(30.64) | 100 | 4.204(21.12) | 40 | 5.872(15.08) | 31 | Fluorcanasite | K3Na3Ca5Si12O30F4•H2O |
| 2.915(30.64) | 100 | 4.460(19.89) | 90 | 2.638(33.95) | 80 | Mckelveyite-(Y) | NaCa(Ba,Sr)3(Y,REE)(CO3)6•3(H2O) |
| 2.915(30.64) | 100 | 4.700(18.87) | 54 | 4.210(21.08) | 40 | Frankamenite | K3Na3Ca5(Si12O30)[F,(OH)]4•(H2O) |
| 2.916(30.63) | 100 | 3.493(25.48) | 50 | 2.936(30.42) | 50 | Piemontite-(Sr) | (Ca,Mn++)(Sr,Ca)Mn+++(Al,Mn+++,Fe+++)2(SiO4)(Si2O7)O(OH) |
| 2.916(30.63) | 100 | 12.410(7.12) | 80 | 3.000(29.76) | 74 | Cetineite | (K,Na)3+x(Sb2O3)3(Sb2S3)(OH)x•(2.8-x)(H2O) |
| 2.916(30.63) | 77 | 3.739(23.78) | 41 | 3.611(24.63) | 23 | Krasnoselskite | CoWO4 |
| 2.916(30.63) | 100 | 2.936(30.42) | 50 | 3.493(25.48) | 50 | Piemontite-(Sr) | (Ca,Mn++)(Sr,Ca)Mn+++(Al,Mn+++,Fe+++)2(SiO4)(Si2O7)O(OH) |
| 2.916(30.63) | 100 | 2.729(32.79) | 100 | 3.420(26.03) | 55 | Parwelite | (Mn,Mg)5Sb(As,Si)2O12 |
| 2.917(30.62) | 100 | 2.956(30.21) | 80 | 4.063(21.86) | 70 | Novgorodovaite | Ca2(C2O4)Cl2•2(H2O) |
| 2.917(30.62) | 100 | 4.063(21.86) | 80 | 4.323(20.53) | 70 | Novgorodovaite | Ca2(C2O4)Cl2•2(H2O) |
| 2.918(30.61) | 100 | 2.960(30.17) | 85 | 3.410(26.11) | 85 | Sorensenite | Na4SnBe2Si6O18•2(H2O) |
| 2.918(30.61) | 100 | 3.410(26.11) | 85 | 2.960(30.17) | 85 | Sorensenite | Na4SnBe2Si6O18•2(H2O) |
| 2.919(30.60) | 100 | 5.620(15.76) | 90 | 5.037(17.59) | 90 | Duranusite | As4S |
| 2.919(30.60) | 100 | 5.037(17.59) | 90 | 5.620(15.76) | 90 | Duranusite | As4S |
| 2.919(30.60) | 100 | 2.659(33.68) | 81 | 6.282(14.09) | 69 | IMA2008-032 | CuCl2•2NH3 |
| 2.920(30.59) | 100 | 6.710(13.18) | 100 | 4.700(18.87) | 80 | Natroboltwoodite | (H3O)(Na,K)(UO2)SiO4•(H2O) |
| 2.920(30.59) | 100 | 5.930(14.93) | 80 | 4.440(19.98) | 60 | Gonnardite | Na2CaAl4Si6O20•7(H2O) |
| 2.920(30.59) | 100 | 9.380(9.42) | 80 | 1.697(53.99) | 70 | Chabazite-Sr | (Sr,Ca,K2,Na2)[Al2Si4O12]•6(H2O) |
| 2.920(30.59) | 100 | 1.697(53.99) | 80 | 4.340(20.45) | 70 | Chabazite-Sr | (Sr,Ca,K2,Na2)[Al2Si4O12]•6(H2O) |
| 2.920(30.59) | 100 | 4.760(18.63) | 90 | 3.330(26.75) | 90 | Hillebrandite | Ca6Si3O9(OH)6 |
| 2.920(30.59) | 100 | 2.230(40.41) | 50 | 3.300(27.00) | 50 | Biraite-(Ce) | Ce2Fe++(CO3)(Si2O7) |
| 2.920(30.59) | 100 | 3.490(25.50) | 100 | 2.980(29.96) | 100 | Tvalchrelidzeite | Hg3SbAsS3 |
| 2.920(30.59) | 100 | 3.220(27.68) | 90 | 2.840(31.47) | 90 | Kurgantaite | CaSr[B5O9]Cl•(H2O) |
| 2.920(30.59) | 100 | 3.590(24.78) | 90 | 2.090(43.25) | 90 | Hydroxylbastnasite-(Ce) | Ce(CO3)(OH) |
| 2.920(30.59) | 100 | 3.720(23.90) | 100 | 3.510(25.35) | 100 | Neyite | AgCu3Pb12.5Bi13S34 |
| 2.920(30.59) | 100 | 2.230(40.41) | 50 | 2.650(33.80) | 50 | Biraite-(Ce) | Ce2Fe++(CO3)(Si2O7) |
| 2.920(30.59) | 100 | 4.380(20.26) | 90 | 3.440(25.88) | 55 | Tincalconite | Na6[B4O5(OH)4]3•8(H2O) |
| 2.920(30.59) | 100 | 3.700(24.03) | 80 | 1.682(54.51) | 65 | Kyzylkumite | V+++2Ti3O9 |
| 2.920(30.59) | 100 | 3.300(27.00) | 50 | 2.230(40.41) | 50 | Biraite-(Ce) | Ce2Fe++(CO3)(Si2O7) |
| 2.920(30.59) | 100 | 3.060(29.16) | 80 | 4.210(21.08) | 60 | Kasolite | Pb(UO2)SiO4•(H2O) |
| 2.920(30.59) | 100 | 2.980(29.96) | 100 | 3.490(25.50) | 100 | Tvalchrelidzeite | Hg3SbAsS3 |
| 2.920(30.59) | 100 | 2.840(31.47) | 90 | 3.220(27.68) | 90 | Kurgantaite | CaSr[B5O9]Cl•(H2O) |
| 2.920(30.59) | 100 | 2.714(32.98) | 65 | 3.530(25.21) | 45 | Allanite-(Ce) | (Ce,Ca,Y)2(Al,Fe+++)3(SiO4)3(OH) |
| 2.920(30.59) | 100 | 2.100(43.04) | 60 | 3.070(29.06) | 30 | Merenskyite | (Pd,Pt)(Te,Bi)2 |
| 2.920(30.59) | 100 | 2.090(43.25) | 90 | 3.590(24.78) | 90 | Hydroxylbastnasite-(Ce) | Ce(CO3)(OH) |
| 2.920(30.59) | 100 | 2.010(45.07) | 70 | 2.130(42.40) | 60 | Stibarsen | SbAs |
| 2.920(30.59) | 100 | 1.792(50.92) | 90 | 1.534(60.28) | 80 | Hiarneite | (Ca,Mn,Na)2(Zr,Mn+++)5(Sb,Ti,Fe)2O16 |
| 2.920(30.59) | 100 | 3.540(25.14) | 90 | 8.420(10.50) | 80 | Melkovite | CaFe+++H6(MoO4)4(PO4)•6(H2O) |
| 2.920(30.59) | 100 | 3.530(25.21) | 54 | 2.710(33.03) | 43 | Uedaite-(Ce) | Mn++CeAl2Fe++(Si2O7)(SiO4)O(OH) |
| 2.920(30.59) | 100 | 3.510(25.35) | 100 | 3.720(23.90) | 100 | Neyite | AgCu3Pb12.5Bi13S34 |
| 2.920(30.59) | 100 | 3.380(26.35) | 100 | 3.020(29.55) | 80 | Barylite | BaBe2Si2O7 |
| 2.920(30.59) | 100 | 1.516(61.07) | 35 | 1.721(53.18) | 30 | Srilankite | (Ti,Zr)O2 |
| 2.920(30.59) | 100 | 1.740(52.55) | 60 | 3.460(25.73) | 50 | Viseite | Ca10Al24(SiO4)6(PO4)7O22F3•72(H2O) (?) |
| 2.920(30.59) | 100 | 3.330(26.75) | 90 | 4.760(18.63) | 90 | Hillebrandite | Ca6Si3O9(OH)6 |
| 2.921(30.58) | 100 | 2.614(34.28) | 49 | 3.500(25.43) | 42 | Epidote-(Sr) | CaSrAl2Fe+++(Si2O7)(SiO4)O(OH) |
| 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 | 2.887(30.95) | 100 | 4.700(18.87) | 100 | Larderellite | (NH4)B5O6(OH)4 |
| 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) |
| 2.922(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 | 2.722(32.88) | 90 | 2.665(33.60) | 90 | Hemloite | (As,Sb)2(Ti,V,Fe,Al)12O23OH |
| 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 | 4.100(21.66) | 100 | 7.250(12.20) | 70 | Petarasite | Na5Zr2Si6O18(Cl,OH)•2(H2O) |
| 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 | 3.151(28.30) | 100 | 4.640(19.11) | 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 |
| 2.926(30.53) | 100 | 1.700(53.89) | 60 | 2.467(36.39) | 50 | Sanmartinite | (Zn,Fe++)WO4 |
| 2.926(30.53) | 100 | 2.036(44.46) | 80 | 2.101(43.02) | 80 | Bohdanowiczite | AgBiSe2 |
| 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 | 3.778(23.53) | 90 | 1.642(55.95) | 50 | Pinalite | Pb3(WO4)OCl2 |
| 2.926(30.53) | 100 | 2.101(43.02) | 80 | 2.036(44.46) | 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) | 50 | 1.985(45.67) | 25 | 2.155(41.89) | 25 | Zincospiroffite | Zn2Te3O8 |
| 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 | 1.599(57.60) | 25 | Zincospiroffite | Zn2Te3O8 |
| 2.929(30.49) | 50 | 1.599(57.60) | 25 | 1.985(45.67) | 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) | 100 | 2.976(3-) | 100 | 3.573(24.90) | 90 | Watkinsonite | PbCu2Bi4(Se,S)8 |
| 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 | 3.090(28.87) | 90 | 3.180(28.04) | 80 | Wolfeite | (Fe++,Mn++)2(PO4)(OH) |
| 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 |
| 2.930(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 | 2.820(31.70) | 40 | 2.507(35.79) | 30 | Zirconolite-2M | CaZrTi2O7 |
| 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 | 1.660(55.29) | 80 | 3.880(22.90) | 80 | Blixite | Pb8O5(OH)2Cl4 |
| 2.930(30.48) | 100 | 3.880(22.90) | 80 | 1.660(55.29) | 80 | Blixite | Pb8O5(OH)2Cl4 |
| 2.930(30.48) | 100 | 2.860(31.25) | 100 | 2.140(42.19) | 90 | Tyretskite | Ca2B5O9(OH)•(H2O) |
| 2.930(30.48) | 100 | 3.290(27.08) | 60 | 1.000(100.76) | 50 | Daomanite | CuPtAsS2 |
| 2.930(30.48) | 100 | 1.000(100.76) | 60 | 1.630(56.40) | 50 | Daomanite | CuPtAsS2 |
| 2.930(30.48) | 100 | 2.507(35.79) | 40 | 2.513(35.70) | 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 | 5.660(15.64) | 71 | 3.483(25.55) | 50 | Waylandite | BiAl3(PO4)2(OH)6 |
| 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 | 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 | 3.785(23.48) | 50 | 2.825(31.65) | 40 | Mereheadite | Pb2O(OH)Cl |
| 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 | 12.520(7.05) | 50 | 2.180(41.38) | 50 | Steigerite | AlVO4•3(H2O) |
| 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 |
| 2.931(30.47) | 100 | 2.032(44.55) | 85 | 6.550(13.51) | 66 | Lingunite | (Na,Ca)AlSi3O8 |
| 2.931(30.47) | 100 | 4.060(21.87) | 70 | 7.370(12.00) | 60 | Loudounite | NaCa5Zr4Si16O40(OH)11•8(H2O) |
| 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 |
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