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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 |
| 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 | 2.090(43.25) | 80 | 2.267(39.73) | 70 | Skippenite | Bi2Se2(Te,S) |
| 3.074(29.02) | 100 | 3.192(27.93) | 100 | 2.706(33.08) | 40 | Gabrielsonite | PbFe++(AsO4)(OH) |
| 3.075(29.01) | 100 | 1.880(48.37) | 80 | 1.600(57.56) | 60 | Colusite | Cu12-13V(As,Sb,Sn,Ge)3S16 |
| 3.075(29.01) | 100 | 3.019(29.56) | 80 | 2.843(31.44) | 50 | Dervillite | Ag2AsS2 |
| 3.076(29.00) | 100 | 2.950(30.27) | 80 | 2.186(41.26) | 67 | Rebulite | Tl5Sb5As8S22 |
| 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 |
| 3.077(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 | 2.275(39.58) | 60 | 2.500(35.89) | 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 | 2.275(39.58) | 60 | 3.591(24.77) | 60 | Vergasovaite | Cu3O[(Mo,S)O4][SO4] |
| 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 | 2.400(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 | 3.591(24.77) | 60 | 2.275(39.58) | 60 | Vergasovaite | Cu3O[(Mo,S)O4][SO4] |
| 3.078(28.99) | 100 | 2.393(37.55) | 100 | 3.800(23.39) | 90 | Rohaite | TlCu5SbS2 |
| 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) |
| 3.080(28.97) | 100 | 2.640(33.93) | 70 | 4.260(20.83) | 60 | Megacyclite | Na8KSi9O18(OH)9•19(H2O) |
| 3.080(28.97) | 100 | 3.440(25.88) | 90 | 2.940(30.38) | 80 | Kalborsite | K6Al4Si6BO20(OH)4Cl |
| 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 | 4.200(21.14) | 100 | 3.580(24.85) | 100 | Dalyite | K2ZrSi6O15 |
| 3.080(28.97) | 100 | 2.483(36.15) | 100 | 3.220(27.68) | 80 | Blossite | Cu2V+++++2O7 |
| 3.080(28.97) | 100 | 1.980(45.79) | 100 | 1.892(48.05) | 100 | Hypercinnabar | HgS |
| 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 | 9.200(9.61) | 90 | 2.780(32.17) | 90 | Hydroglauberite | Na4Ca(SO4)3•2(H2O) |
| 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 | 2.550(35.16) | 100 | 3.480(25.58) | 90 | Prehnite | Ca2Al2Si3O10(OH)2 |
| 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 | 1.641(55.99) | 80 | 2.907(30.73) | 80 | Canasite | (Na,K)6Ca5Si12O30(OH,F)4 |
| 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 | 3.580(24.85) | 100 | 4.200(21.14) | 100 | Dalyite | K2ZrSi6O15 |
| 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 | 3.280(27.16) | 60 | 2.846(31.41) | 50 | Monazite-(Nd) | (Nd,Ce,La)(P,Si)O4 |
| 3.080(28.97) | 100 | 3.260(27.33) | 100 | 2.483(36.15) | 80 | Blossite | Cu2V+++++2O7 |
| 3.080(28.97) | 100 | 3.200(27.86) | 90 | 2.840(31.47) | 60 | Orickite | CuFeS2•(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 | 2.820(31.70) | 90 | 2.010(45.07) | 60 | Tornebohmite-(Ce) | (Ce,La,Nd)2Al(SiO4)2(OH) |
| 3.080(28.97) | 100 | 2.790(32.05) | 90 | 3.440(25.88) | 80 | Kalborsite | K6Al4Si6BO20(OH)4Cl |
| 3.080(28.97) | 100 | 2.780(32.17) | 90 | 9.200(9.61) | 90 | Hydroglauberite | Na4Ca(SO4)3•2(H2O) |
| 3.080(28.97) | 100 | 2.580(34.74) | 90 | 2.890(30.92) | 60 | Stephanite | Ag5SbS4 |
| 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 | 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 | 1.887(48.18) | 70 | 1.612(57.09) | 50 | Ovamboite | Cu20(Fe,Cu,Zn)6W2Ge6S32 |
| 3.080(28.97) | 100 | 3.110(28.68) | 60 | 2.292(39.28) | 50 | Jarosite | KFe+++3(SO4)2(OH)6 |
| 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 | 3.670(24.23) | 80 | 4.030(22.04) | 60 | Douglasite | K2Fe++Cl4•2(H2O) |
| 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) |
| 3.088(28.89) | 100 | 3.400(26.19) | 70 | 1.991(45.52) | 40 | Wolsendorfite | (Pb,Ba,Ca)U2O7•2(H2O) |
| 3.088(28.89) | 100 | 1.895(47.97) | 90 | 1.614(57.01) | 70 | Vinciennite | Cu10Fe4Sn(As,Sb)S16 |
| 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 |
| 3.089(28.88) | 100 | 4.360(20.35) | 64 | 3.129(28.50) | 60 | Palermoite | (Sr,Ca)(Li,Na)2Al4(PO4)4(OH)4 |
| 3.090(28.87) | 100 | 2.120(42.61) | 60 | 2.250(40.04) | 40 | Aleksite | PbBi2Te2S2 (?) |
| 3.090(28.87) | 100 | 3.060(29.16) | 100 | 3.600(24.71) | 100 | Ziesite | Cu2V+++++2O7 |
| 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 | 3.040(29.36) | 70 | 2.780(32.17) | 70 | Mendipite | Pb3Cl2O2 |
| 3.090(28.87) | 100 | 2.810(31.82) | 100 | 1.830(49.79) | 100 | Plombierite | Ca5H2Si6O18•6H2O |
| 3.090(28.87) | 100 | 2.593(34.56) | 30 | 2.131(42.38) | 25 | Kaliophilite | KAlSiO4 |
| 3.090(28.87) | 100 | 2.990(29.86) | 100 | 3.400(26.19) | 100 | Epididymite | NaBeSi3O7(OH) |
| 3.090(28.87) | 100 | 4.320(20.54) | 100 | 2.710(33.03) | 90 | Pharmacolite | CaHAsO4•2(H2O) |
| 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 | 4.600(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 | 2.050(44.14) | 100 | 3.470(25.65) | 100 | Sulfoborite | Mg3B2(SO4)(OH)8(OH,F)2 |
| 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 | 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 | 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 | 4.400(20.16) | 74 | 6.590(13.42) | 66 | Krausite | KFe+++(SO4)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 | 3.160(28.22) | 100 | 5.700(15.53) | 60 | Ammonioborite | (NH4)2B10O16•5(H2O) |
| 3.090(28.87) | 100 | 2.890(30.92) | 90 | 4.230(20.98) | 75 | Huttonite | ThSiO4 |
| 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 | 2.780(32.17) | 70 | 3.040(29.36) | 70 | Mendipite | Pb3Cl2O2 |
| 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 | 8.230(10.74) | 100 | 3.220(27.68) | 80 | Marthozite | Cu[(UO2)3(SeO3)2O2]•8(H2O) |
| 3.090(28.87) | 100 | 2.612(34.30) | 70 | 1.240(76.81) | 60 | Megakalsilite | KAlSiO4 |
| 3.090(28.87) | 100 | 1.623(56.67) | 23 | 2.078(43.52) | 20 | Grattarolaite | Fe+++3O3(PO4) |
| 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 | 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 | 1.980(45.79) | 70 | 1.667(55.04) | 60 | Bauranoite | BaU2O7•4-5(H2O) |
| 3.090(28.87) | 100 | 2.210(40.80) | 50 | 2.330(38.61) | 30 | Volynskite | AgBiTe2 |
| 3.091(28.86) | 100 | 1.878(48.43) | 80 | 3.175(28.08) | 60 | Fettelite | [Ag6As2S7][Ag10HgAs2S8] |
| 3.092(28.85) | 100 | 5.966(14.84) | 50 | 3.678(24.18) | 40 | Segnitite | PbFe+++3H(AsO4)2(OH)6 |
| 3.092(28.85) | 100 | 3.304(26.96) | 93 | 6.810(12.99) | 67 | Coquandite | Sb6O8(SO4)•(H2O) |
| 3.093(28.84) | 100 | 2.936(30.42) | 100 | 8.682(10.18) | 100 | Barringtonite | MgCO3•2(H2O) |
| 3.093(28.84) | 100 | 3.087(28.90) | 69 | 3.180(28.04) | 55 | Uricite | C5H4N4O3 |
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