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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.
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 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) |
| 3.088(28.89) | 100 | 1.895(47.97) | 90 | 1.614(57.01) | 70 | Vinciennite | Cu10Fe4Sn(As,Sb)S16 |
| 3.088(28.89) | 100 | 3.400(26.19) | 70 | 1.991(45.52) | 40 | Wolsendorfite | (Pb,Ba,Ca)U2O7•2(H2O) |
| 3.089(28.88) | 100 | 4.360(20.35) | 64 | 3.129(28.50) | 60 | Palermoite | (Sr,Ca)(Li,Na)2Al4(PO4)4(OH)4 |
| 3.089(28.88) | 100 | 1.991(45.52) | 70 | 2.706(33.08) | 70 | Sabatierite | Cu4TlSe3 |
| 3.089(28.88) | 100 | 2.706(33.08) | 70 | 1.991(45.52) | 70 | Sabatierite | Cu4TlSe3 |
| 3.090(28.87) | 100 | 2.810(31.82) | 100 | 1.830(49.79) | 100 | Plombierite | Ca5H2Si6O18•6H2O |
| 3.090(28.87) | 100 | 1.980(45.79) | 70 | 1.667(55.04) | 60 | Bauranoite | BaU2O7•4-5(H2O) |
| 3.090(28.87) | 100 | 3.060(29.16) | 100 | 3.600(24.71) | 100 | Ziesite | Cu2V+++++2O7 |
| 3.090(28.87) | 100 | 8.230(10.74) | 100 | 3.220(27.68) | 80 | Marthozite | Cu[(UO2)3(SeO3)2O2]•8(H2O) |
| 3.090(28.87) | 100 | 6.179(14.32) | 90 | 3.241(27.50) | 40 | Radovanite | Cu2Fe+++(AsO4)[As+++O2(OH)2]•H2O |
| 3.090(28.87) | 100 | 4.500(19.71) | 46 | 2.255(39.95) | 38 | Baksanite | Bi6Te2S3 |
| 3.090(28.87) | 100 | 2.990(29.86) | 100 | 3.400(26.19) | 100 | Epididymite | NaBeSi3O7(OH) |
| 3.090(28.87) | 100 | 4.600(19.28) | 70 | 2.820(31.70) | 70 | Tornebohmite-(La) | (La,Ce)2Al(SiO4)2(OH) |
| 3.090(28.87) | 100 | 6.910(12.80) | 100 | 3.190(27.95) | 100 | Parakuzmenkoite-Fe | (K,Ba)2Fe(Ti,Nb)4(Si4O12)2(O,OH)4•7(H2O) |
| 3.090(28.87) | 100 | 3.040(29.36) | 70 | 2.780(32.17) | 70 | Mendipite | Pb3Cl2O2 |
| 3.090(28.87) | 100 | 8.810(10.03) | 70 | 2.681(33.39) | 70 | Bjarebyite | (Ba,Sr)(Mn++,Fe++,Mg)2Al2(PO4)3(OH)3 |
| 3.090(28.87) | 100 | 1.283(73.79) | 67 | 1.676(54.72) | 67 | Metacalciouranoite | (Ca,Na,Ba)U2O7•2(H2O) |
| 3.090(28.87) | 100 | 2.050(44.14) | 100 | 3.470(25.65) | 100 | Sulfoborite | Mg3B2(SO4)(OH)8(OH,F)2 |
| 3.090(28.87) | 100 | 2.870(31.14) | 100 | 4.200(21.14) | 70 | Steenstrupine-(Ce) | Na14Ce6Mn++Mn+++Fe++2(Zr,Th)(Si6O18)2(PO4)7•3(H2O) |
| 3.090(28.87) | 100 | 4.400(20.16) | 74 | 6.590(13.42) | 66 | Krausite | KFe+++(SO4)2•(H2O) |
| 3.090(28.87) | 100 | 4.320(20.54) | 100 | 2.710(33.03) | 90 | Pharmacolite | CaHAsO4•2(H2O) |
| 3.090(28.87) | 100 | 1.894(47.99) | 80 | 1.617(56.90) | 60 | Nekrasovite | Cu+26V2(Sn,As,Sb)6S32 |
| 3.090(28.87) | 100 | 1.895(47.97) | 80 | 1.618(56.86) | 60 | Mawsonite | Cu+6Fe+++2Sn++++S8 |
| 3.090(28.87) | 100 | 2.120(42.61) | 60 | 2.250(40.04) | 40 | Aleksite | PbBi2Te2S2 (?) |
| 3.090(28.87) | 100 | 2.210(40.80) | 50 | 2.330(38.61) | 30 | Volynskite | AgBiTe2 |
| 3.090(28.87) | 100 | 2.593(34.56) | 30 | 2.131(42.38) | 25 | Kaliophilite | KAlSiO4 |
| 3.090(28.87) | 100 | 2.612(34.30) | 70 | 1.240(76.81) | 60 | Megakalsilite | KAlSiO4 |
| 3.090(28.87) | 100 | 2.681(33.39) | 70 | 8.810(10.03) | 70 | Bjarebyite | (Ba,Sr)(Mn++,Fe++,Mg)2Al2(PO4)3(OH)3 |
| 3.090(28.87) | 100 | 2.780(32.17) | 70 | 3.040(29.36) | 70 | Mendipite | Pb3Cl2O2 |
| 3.090(28.87) | 100 | 2.820(31.70) | 70 | 4.600(19.28) | 70 | Tornebohmite-(La) | (La,Ce)2Al(SiO4)2(OH) |
| 3.090(28.87) | 100 | 1.623(56.67) | 23 | 2.078(43.52) | 20 | Grattarolaite | Fe+++3O3(PO4) |
| 3.090(28.87) | 100 | 2.890(30.92) | 90 | 4.230(20.98) | 75 | Huttonite | ThSiO4 |
| 3.090(28.87) | 100 | 1.676(54.72) | 67 | 1.283(73.79) | 67 | Metacalciouranoite | (Ca,Na,Ba)U2O7•2(H2O) |
| 3.090(28.87) | 100 | 3.410(26.11) | 70 | 1.980(45.79) | 60 | Bauranoite | BaU2O7•4-5(H2O) |
| 3.090(28.87) | 100 | 3.190(27.95) | 100 | 6.910(12.80) | 100 | Parakuzmenkoite-Fe | (K,Ba)2Fe(Ti,Nb)4(Si4O12)2(O,OH)4•7(H2O) |
| 3.090(28.87) | 100 | 3.160(28.22) | 100 | 5.700(15.53) | 60 | Ammonioborite | (NH4)2B10O16•5(H2O) |
| 3.091(28.86) | 100 | 1.878(48.43) | 80 | 3.175(28.08) | 60 | Fettelite | [Ag6As2S7][Ag10HgAs2S8] |
| 3.092(28.85) | 100 | 3.304(26.96) | 93 | 6.810(12.99) | 67 | Coquandite | Sb6O8(SO4)•(H2O) |
| 3.092(28.85) | 100 | 5.966(14.84) | 50 | 3.678(24.18) | 40 | Segnitite | PbFe+++3H(AsO4)2(OH)6 |
| 3.093(28.84) | 100 | 3.087(28.90) | 69 | 3.180(28.04) | 55 | Uricite | C5H4N4O3 |
| 3.093(28.84) | 100 | 3.167(28.15) | 100 | 1.659(55.33) | 70 | Howardevansite | NaCu++Fe+++2(VO4)3 |
| 3.093(28.84) | 100 | 2.936(30.42) | 100 | 8.682(10.18) | 100 | Barringtonite | MgCO3•2(H2O) |
| 3.094(28.83) | 100 | 2.915(30.64) | 80 | 2.649(33.81) | 70 | Penikisite | BaMg2Al2(PO4)3(OH)3 |
| 3.095(28.82) | 100 | 3.082(28.95) | 95 | 3.120(28.59) | 30 | Clinobisvanite | BiVO4 |
| 3.096(28.81) | 100 | 3.955(22.46) | 50 | 3.164(28.18) | 50 | Georgiadesite | Pb4(AsO3)Cl4(OH) |
| 3.096(28.81) | 100 | 1.778(51.35) | 90 | 2.334(38.54) | 70 | Orebroite-VIII | Mn++3(Sb+++++,Fe+++)SiO4(O,OH)3 |
| 3.096(28.81) | 100 | 3.164(28.18) | 50 | 3.955(22.46) | 50 | Georgiadesite | Pb4(AsO3)Cl4(OH) |
| 3.096(28.81) | 100 | 1.778(51.35) | 90 | 2.334(38.54) | 70 | Orebroite-III | Mn++6(Fe+++,Sb+++++)2Si2(O,OH)14 |
| 3.097(28.80) | 100 | 4.650(19.07) | 70 | 9.280(9.52) | 70 | Juabite | (Ca,Fe++)Cu10(Te++++O3)4(As+++++O4)4(OH)2•4(H2O) |
| 3.097(28.80) | 100 | 9.280(9.52) | 70 | 4.650(19.07) | 70 | Juabite | (Ca,Fe++)Cu10(Te++++O3)4(As+++++O4)4(OH)2•4(H2O) |
| 3.098(28.79) | 100 | 3.432(25.94) | 50 | 2.770(32.29) | 15 | Coesite | SiO2 |
| 3.098(28.79) | 100 | 8.366(10.57) | 92 | 2.548(35.19) | 58 | Protomangano-ferro-anthophyllite | (Mn++,Fe++)2(Fe++,Mg)5(Si4O11)2(OH)2 |
| 3.099(28.78) | 100 | 2.667(33.57) | 100 | 1.766(51.72) | 100 | Yftisite-(Y) | (Y,Dy,Er)4(Ti,Sn)O(SiO4)2(F,OH)6 |
| 3.100(28.77) | 100 | 1.892(48.05) | 90 | 1.614(57.01) | 70 | Stibiocolusite | Cu13V(Sb,As,Sn)3S16 |
| 3.100(28.77) | 100 | 1.903(47.75) | 80 | 1.610(57.17) | 60 | Lautite | CuAsS |
| 3.100(28.77) | 100 | 4.760(18.63) | 55 | 3.072(29.04) | 30 | Scheelite | CaWO4 |
| 3.100(28.77) | 100 | 2.998(29.78) | 100 | 2.938(30.40) | 100 | Manganbabingtonite | Ca2(Mn,Fe++)Fe+++Si5O14(OH) |
| 3.100(28.77) | 100 | 1.882(48.32) | 90 | 1.631(56.36) | 50 | Fergusonite-(Ce) | (Ce,La,Y)NbO4 |
| 3.100(28.77) | 100 | 2.986(29.90) | 100 | 1.911(47.54) | 50 | Gotzenite | (Ca,Na)3(Ti,Al)Si2O7(F,OH)2 |
| 3.100(28.77) | 100 | 3.070(29.06) | 100 | 2.860(31.25) | 80 | Thoreaulite | Sn++Ta2O6 |
| 3.100(28.77) | 100 | 2.292(39.28) | 100 | 2.111(42.80) | 75 | Tetradymite | Bi2Te2S |
| 3.100(28.77) | 100 | 2.520(35.60) | 100 | 2.830(31.59) | 90 | Homilite | Ca2(Fe++,Mg)B2Si2O10 |
| 3.100(28.77) | 70 | 2.880(31.03) | 70 | 3.290(27.08) | 60 | Karnasurtite-(Ce) | (Ce,La,Th)(Ti,Nb)(Al,Fe+++)(Si,P)2O7(OH)4•3(H2O) (?) |
| 3.100(28.77) | 100 | 1.920(47.30) | 80 | 1.890(48.10) | 70 | Barquillite | Cu2CdGeS4 |
| 3.100(28.77) | 100 | 8.222(10.75) | 61 | 2.741(32.64) | 53 | Ferri-clinoholmquistite | [ ]Li2Mg3(Fe3+)2(Si8O22)(OH)2 |
| 3.100(28.77) | 100 | 1.929(47.07) | 30 | 4.760(18.63) | 25 | Powellite | CaMoO4 |
| 3.100(28.77) | 100 | 5.100(17.37) | 60 | 1.990(45.55) | 40 | Ammoniojarosite | (NH4)Fe+++3(SO4)2(OH)6 |
| 3.100(28.77) | 100 | 2.710(33.03) | 80 | 3.400(26.19) | 70 | Eckermannite | NaNa2(Mg4Al)Si8O22(OH)2 |
| 3.100(28.77) | 100 | 1.918(47.36) | 80 | 6.920(12.78) | 60 | Spriggite | Pb3[(UO2)6O8(OH)2](H2O)x; x ~ 3 |
| 3.100(28.77) | 100 | 4.250(20.88) | 90 | 4.420(20.07) | 80 | Sanderite | MgSO4•2(H2O) |
| 3.100(28.77) | 100 | 3.460(25.73) | 80 | 1.918(47.36) | 60 | Spriggite | Pb3[(UO2)6O8(OH)2](H2O)x; x ~ 3 |
| 3.100(28.77) | 100 | 3.028(29.47) | 90 | 1.760(51.91) | 60 | Changbaiite | PbNb2O6 |
| 3.100(28.77) | 100 | 2.810(31.82) | 40 | 2.750(32.53) | 30 | Thalenite-(Y) | Y3Si3O10(OH) |
| 3.102(28.76) | 100 | 2.715(32.96) | 80 | 3.620(24.57) | 80 | Hodrushite | Cu8Bi12S22 |
| 3.102(28.76) | 100 | 3.620(24.57) | 80 | 2.715(32.96) | 80 | Hodrushite | Cu8Bi12S22 |
| 3.104(28.74) | 100 | 3.466(25.68) | 60 | 1.542(59.94) | 50 | Coronadite | Pb(Mn++++,Mn++)8O16 |
| 3.104(28.74) | 100 | 2.486(36.10) | 70 | 1.672(54.86) | 30 | Theoparacelsite | Cu3(OH)2(As2O7) |
| 3.104(28.74) | 100 | 1.897(47.91) | 70 | 1.828(49.84) | 50 | Wilhelmramsayite | Cu3FeS3•2(H2O) |
| 3.104(28.74) | 100 | 1.828(49.84) | 70 | 2.292(39.28) | 50 | Wilhelmramsayite | Cu3FeS3•2(H2O) |
| 3.104(28.74) | 100 | 6.600(13.40) | 86 | 3.288(27.10) | 75 | Hemimorphite | Zn4Si2O7(OH)2•(H2O) |
| 3.108(28.70) | 100 | 1.902(47.78) | 65 | 1.623(56.67) | 35 | Famatinite | Cu3SbS4 |
| 3.108(28.70) | 100 | 2.927(30.52) | 80 | 3.044(29.32) | 70 | Kulanite | Ba(Fe++,Mn,Mg)2Al2(PO4)3(OH)3 |
| 3.108(28.70) | 100 | 3.027(29.48) | 100 | 2.809(31.83) | 100 | Calciocopiapite | CaFe+++4(SO4)6(OH)2•19(H2O) |
| 3.109(28.69) | 100 | 2.248(40.08) | 70 | 1.368(68.54) | 67 | Antimony | Sb |
| 3.110(28.68) | 100 | 2.830(31.59) | 100 | 2.540(35.31) | 90 | Minasgeraisite-(Y) | CaY2Be2Si2O10 |
| 3.110(28.68) | 100 | 15.560(5.68) | 90 | 2.665(33.60) | 70 | Shkatulkalite | {(Na,Mn,Ca,[ ])4[Nb2(O,H2O)4Si4O14](OH,F)2}•2(H2O,[ ]) |
| 3.110(28.68) | 100 | 6.060(14.61) | 90 | 1.843(49.41) | 80 | Arsenobismite | Bi2(AsO4)(OH)3 |
| 3.110(28.68) | 100 | 4.990(17.76) | 100 | 5.850(15.13) | 60 | Parabutlerite | Fe+++(SO4)(OH)•2(H2O) |
| 3.110(28.68) | 100 | 3.700(24.03) | 90 | 2.600(34.47) | 70 | Burckhardtite | Pb2(Fe+++,Mn+++)Te++++(AlSi3O10)O2(OH)2•(H2O) |
| 3.110(28.68) | 100 | 3.250(27.42) | 50 | 3.050(29.26) | 50 | Walpurgite | Bi4(UO2)(AsO4)2O4•2(H2O) |
| 3.110(28.68) | 100 | 2.280(39.49) | 60 | 2.130(42.40) | 50 | Ingodite | Bi(S,Te) |
| 3.110(28.68) | 100 | 2.236(40.30) | 60 | 2.850(31.36) | 60 | Bakerite | Ca4B4(BO4)(SiO4)3(OH)3•(H2O) |
| 3.110(28.68) | 100 | 1.919(47.33) | 50 | 1.858(48.99) | 30 | Hemusite | Cu6SnMoS8 |
| 3.110(28.68) | 100 | 2.017(44.90) | 100 | 2.786(32.10) | 80 | Bariosincosite | Ba(V++++O)2(PO4)2•4(H2O) |
| 3.110(28.68) | 100 | 2.850(31.36) | 60 | 2.236(40.30) | 60 | Bakerite | Ca4B4(BO4)(SiO4)3(OH)3•(H2O) |
| 3.110(28.68) | 100 | 1.906(47.67) | 70 | 1.621(56.74) | 20 | Stannoidite | Cu8Fe3Sn2S12 |
| 3.110(28.68) | 100 | 2.656(33.72) | 100 | 5.300(16.71) | 100 | Berborite | Be2(BO3)(OH,F)•(H2O) |