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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 |
| 2.680(33.41) | 100 | 2.080(43.47) | 40 | 5.900(15.00) | 32 | Molysite | Fe+++Cl3 |
| 2.680(33.41) | 100 | 2.450(36.65) | 100 | 1.806(50.49) | 90 | Penroseite | (Ni,Co,Cu)Se2 |
| 2.680(33.41) | 100 | 4.890(18.13) | 100 | 2.450(36.65) | 50 | Mayenite | Ca12Al14O33 |
| 2.680(33.41) | 100 | 4.260(20.83) | 85 | 3.310(26.91) | 85 | Itoigawaite | SrAl2Si2O7(OH)2•(H2O) |
| 2.680(33.41) | 100 | 4.760(18.63) | 81 | 2.656(33.72) | 50 | Reppiaite | Mn++5[(V,As)O4]2(OH)4 |
| 2.680(33.41) | 100 | 2.900(30.81) | 100 | 2.690(33.28) | 70 | Epidote | Ca2(Fe+++,Al)3(SiO4)3(OH) = Ca2(Fe,Al)Al2(SiO4)(Si2O7)O(OH) |
| 2.680(33.41) | 100 | 4.180(21.24) | 90 | 2.470(36.34) | 80 | Ferrotychite | Na6Fe++2(SO4)(CO3)4 |
| 2.680(33.41) | 100 | 3.310(26.91) | 85 | 4.260(20.83) | 85 | Itoigawaite | SrAl2Si2O7(OH)2•(H2O) |
| 2.681(33.39) | 100 | 2.846(31.41) | 80 | 1.583(58.23) | 50 | Graeserite | (Fe+++,Ti)4Ti3AsO13(OH) |
| 2.684(33.36) | 100 | 2.999(29.77) | 70 | 1.603(57.44) | 60 | Uvarovite | Ca3Cr2(SiO4)3 |
| 2.685(33.34) | 100 | 2.512(35.71) | 90 | 3.472(25.64) | 90 | Qingheiite | Na2(Mn++,Mg,Fe++)(Al,Fe+++)(PO4)3 |
| 2.685(33.34) | 100 | 3.472(25.64) | 90 | 2.512(35.71) | 90 | Qingheiite | Na2(Mn++,Mg,Fe++)(Al,Fe+++)(PO4)3 |
| 2.686(33.33) | 100 | 3.003(29.73) | 42 | 2.452(36.62) | 39 | Wadalite | Ca6Al5Si2O16Cl3 |
| 2.686(33.33) | 100 | 2.593(34.56) | 75 | 3.420(26.03) | 60 | Hagendorfite | NaCaMn(Fe++,Fe+++,Mg)2(PO4)3 |
| 2.686(33.33) | 100 | 2.578(34.77) | 100 | 1.435(64.93) | 90 | Fluorocannilloite | CaCa2(Mg4Al)Si5Al3O22F2 |
| 2.687(33.32) | 100 | 2.671(33.52) | 65 | 2.653(33.76) | 47 | Merwinite | Ca3Mg(SiO4)2 |
| 2.687(33.32) | 100 | 4.435(2-) | 80 | 3.377(26.37) | 80 | IMA2009-012 | NaNa2(Mg2Al2Li)Si8O22F2 |
| 2.687(33.32) | 100 | 10.650(8.30) | 60 | 3.079(28.98) | 55 | Nyboite | NaNa2(Mg3Al2)Si7AlO22(OH)2 |
| 2.687(33.32) | 100 | 3.377(26.37) | 80 | 4.435(2-) | 80 | IMA2009-012 | NaNa2(Mg2Al2Li)Si8O22F2 |
| 2.688(33.30) | 100 | 3.005(29.71) | 65 | 1.607(57.28) | 49 | Goldmanite | Ca3(V,Al,Fe+++)2(SiO4)3 |
| 2.688(33.30) | 100 | 2.996(29.80) | 69 | 2.963(30.14) | 48 | Schlegelite | Bi7O4(MoO4)2(AsO4)3 |
| 2.690(33.28) | 100 | 2.480(36.19) | 100 | 8.000(11.05) | 80 | Northupite | Na3Mg(CO3)2Cl |
| 2.690(33.28) | 100 | 2.870(31.14) | 65 | 4.030(22.04) | 50 | Zoisite | Ca2Al3(SiO4)3(OH) = Ca2AlAl2(SiO4)(Si2O7)O(OH) |
| 2.690(33.28) | 100 | 1.690(54.23) | 60 | 2.510(35.74) | 50 | Hematite | Fe2O3 |
| 2.690(33.28) | 100 | 3.010(29.65) | 70 | 1.610(57.17) | 50 | Yamatoite | (Mn++,Ca)3(V+++,Al)2(SiO4)3 |
| 2.690(33.28) | 100 | 3.038(29.38) | 40 | 3.130(28.49) | 37 | Hillite | Ca2(Zn, Mg)[PO4]2•2(H2O) |
| 2.691(33.27) | 100 | 2.860(31.25) | 100 | 2.960(30.17) | 100 | Thomsonite-Sr | (Sr,Ca)2Na[Al5Si5O20]•7(H2O) |
| 2.691(33.27) | 100 | 8.307(10.64) | 64 | 3.079(28.98) | 58 | Fluoronyboite | NaNa2(Al2Mg3)(Si7Al)O22(F,OH)2 |
| 2.691(33.27) | 100 | 2.960(30.17) | 100 | 2.860(31.25) | 100 | Thomsonite-Sr | (Sr,Ca)2Na[Al5Si5O20]•7(H2O) |
| 2.692(33.25) | 100 | 2.790(32.05) | 55 | 2.240(40.23) | 45 | Carbonate-fluorapatite | Ca5(PO4,CO3)3F |
| 2.693(33.24) | 100 | 2.674(33.48) | 100 | 6.150(14.39) | 60 | Wyllieite | (Na,Ca,Mn++)(Mn++,Fe++)(Fe++,Fe+++,Mg)Al(PO4)3 |
| 2.693(33.24) | 100 | 2.674(33.48) | 100 | 6.150(14.39) | 60 | Ferrowyllieite | (Na,Ca,Mn)(Fe++,Mn)(Fe++,Fe+++,Mg)Al(PO4)3 |
| 2.693(33.24) | 100 | 3.012(29.63) | 100 | 2.372(37.90) | 80 | Staurolite | (Fe++,Mg)2Al9(Si,Al)4O20(O,OH)4 |
| 2.693(33.24) | 100 | 3.110(28.68) | 80 | 8.380(10.55) | 65 | Kaersutite | NaCa2(Mg4Ti)Si6Al2O23(OH)2 |
| 2.693(33.24) | 100 | 2.674(33.48) | 100 | 6.150(14.39) | 60 | Rosemaryite | (Na,Ca,Mn++)(Mn++,Fe++)(Fe+++,Fe++,Mg)Al(PO4)3 |
| 2.694(33.23) | 100 | 12.000(7.36) | 100 | 2.598(34.49) | 55 | Eggletonite | Na2Mn8[Si11AlO29](OH)7•11(H2O) |
| 2.695(33.22) | 100 | 4.220(21.03) | 76 | 2.474(36.28) | 70 | Manganotychite | Na6(Mn++,Fe++,Mg)2(SO4)(CO3)4 |
| 2.695(33.22) | 100 | 2.788(32.08) | 50 | 2.817(31.74) | 50 | Harstigite | Ca6MnBe4(SiO4)2(Si2O7)2(OH)2 |
| 2.695(33.22) | 100 | 2.817(31.74) | 50 | 2.788(32.08) | 50 | Harstigite | Ca6MnBe4(SiO4)2(Si2O7)2(OH)2 |
| 2.696(33.20) | 100 | 1.611(57.13) | 60 | 3.015(29.60) | 60 | Andradite | Ca3Fe+++2(SiO4)3 |
| 2.696(33.20) | 100 | 3.015(29.60) | 60 | 1.611(57.13) | 60 | Andradite | Ca3Fe+++2(SiO4)3 |
| 2.697(33.19) | 100 | 8.381(10.55) | 92 | 3.104(28.74) | 69 | Alumino-magnesiotaramite | Na(CaNa)(Mg3Al2)(Si6Al2)O22(OH)2 |
| 2.697(33.19) | 100 | 2.542(35.28) | 90 | 3.127(28.52) | 80 | Dellaventuraite | NaNa2(Mg2,Mn+++,Li,Ti)Si8O22O2 |
| 2.697(33.19) | 100 | 2.015(44.95) | 90 | 2.900(30.81) | 80 | Teepleite | Na2B(OH)4Cl |
| 2.698(33.18) | 100 | 2.910(30.70) | 90 | 2.622(34.17) | 60 | Dissakisite-(Ce) | Ca(Ce,REE)(Mg,Fe++)(Al,Fe+++)2Si3O12(OH) |
| 2.699(33.16) | 100 | 2.221(40.59) | 34 | 3.328(26.77) | 30 | Empressite | AgTe |
| 2.700(33.15) | 100 | 2.670(33.54) | 100 | 3.120(28.59) | 100 | Harmotome | (Ba,Na,K)1-2(Si,Al)8O16•6(H2O) |
| 2.700(33.15) | 100 | 3.060(29.16) | 100 | 2.830(31.59) | 100 | Saneroite | Na2(Mn++,Fe+++)10Si11V+++++O34(OH)4 |
| 2.700(33.15) | 100 | 2.990(29.86) | 100 | 7.930(11.15) | 100 | Clinoholmquistite | [ ](Li2Mg3Al2)Si8O22(OH)2 |
| 2.700(33.15) | 100 | 2.400(37.44) | 100 | 2.300(39.13) | 100 | Bornhardtite | Co++Co+++2Se4 |
| 2.700(33.15) | 100 | 2.020(44.83) | 100 | 1.800(50.67) | 100 | Wilkmanite | Ni3Se4 |
| 2.700(33.15) | 100 | 8.400(10.52) | 90 | 2.530(35.45) | 90 | Winchite | [ ](CaNa)Mg4(Al,Fe3+)Si8O22(OH)2 |
| 2.700(33.15) | 100 | 1.910(47.57) | 50 | 2.720(32.90) | 40 | Perovskite | CaTiO3 |
| 2.700(33.15) | 100 | 2.015(44.95) | 80 | 1.806(50.49) | 60 | Sederholmite | NiSe |
| 2.700(33.15) | 100 | 2.530(35.45) | 90 | 8.400(10.52) | 90 | Winchite | [ ](CaNa)Mg4(Al,Fe3+)Si8O22(OH)2 |
| 2.700(33.15) | 100 | 2.830(31.59) | 100 | 3.060(29.16) | 100 | Saneroite | Na2(Mn++,Fe+++)10Si11V+++++O34(OH)4 |
| 2.700(33.15) | 100 | 3.030(29.45) | 95 | 2.670(33.54) | 79 | Cassidyite | Ca2(Ni,Mg)(PO4)2•2(H2O) |
| 2.700(33.15) | 100 | 5.300(16.71) | 100 | 4.080(21.76) | 55 | Kermesite | Sb2S2O |
| 2.700(33.15) | 100 | 5.750(15.40) | 100 | 2.445(36.73) | 90 | Claringbullite | Cu++4(OH)7Cl |
| 2.700(33.15) | 100 | 8.340(10.60) | 82 | 3.094(28.83) | 67 | Fluoro-alumino-magnesiotaramite | Na(CaNa)(Mg3Al2)(Si6Al2)O22F2 |
| 2.701(33.14) | 100 | 2.646(33.85) | 65 | 2.667(33.57) | 60 | Spurrite | Ca5(SiO4)2(CO3) |
| 2.701(33.14) | 100 | 8.344(10.59) | 98 | 3.392(26.25) | 74 | Ferriwhittakerite | Na(NaLi)(Mg2Fe+++2Li)Si8O22(OH)2 |
| 2.702(33.13) | 100 | 3.150(28.31) | 80 | 1.887(48.18) | 80 | Trechmannite | AgAsS2 |
| 2.702(33.13) | 100 | 3.499(25.43) | 100 | 4.644(19.10) | 55 | Pucherite | BiVO4 |
| 2.702(33.13) | 100 | 1.651(55.62) | 30 | 2.350(38.27) | 15 | Abswurmbachite | Cu++Mn+++6SiO12 |
| 2.702(33.13) | 100 | 1.887(48.18) | 80 | 3.150(28.31) | 80 | Trechmannite | AgAsS2 |
| 2.703(33.11) | 100 | 6.240(14.18) | 70 | 3.085(28.92) | 55 | Ferroalluaudite | NaCaFe++(Fe++,Mn,Fe+++,Mg)2(PO4)3 |
| 2.703(33.11) | 100 | 2.876(31.07) | 90 | 2.789(32.07) | 80 | Heneuite | CaMg5(PO4)3(CO3)(OH) |
| 2.704(33.10) | 100 | 4.393(20.20) | 90 | 5.060(17.51) | 90 | Orientite | Ca2Mn++Mn+++2Si3O10(OH)4 |
| 2.704(33.10) | 100 | 5.060(17.51) | 90 | 4.393(20.20) | 90 | Orientite | Ca2Mn++Mn+++2Si3O10(OH)4 |
| 2.706(33.08) | 100 | 2.446(36.71) | 80 | 8.110(10.90) | 70 | Lesukite | Al2(OH)5Cl•2(H2O) |
| 2.708(33.05) | 100 | 2.172(41.54) | 100 | 2.648(33.82) | 90 | Crawfordite | Na3Sr(PO4)(CO3) |
| 2.708(33.05) | 100 | 3.123(28.56) | 75 | 3.386(26.30) | 67 | Parvo-mangano-edenite | Na(CaMn)2Mg5(Si7Al)O22(OH)2 |
| 2.709(33.04) | 100 | 2.419(37.14) | 80 | 1.758(51.97) | 80 | Viaeneite | (Fe,Pb)4S8O |
| 2.709(33.04) | 100 | 1.758(51.97) | 80 | 2.419(37.14) | 80 | Viaeneite | (Fe,Pb)4S8O |
| 2.709(33.04) | 100 | 2.839(31.49) | 85 | 7.280(12.15) | 70 | Ilvaite | CaFe++2Fe+++Si2O7O(OH) |
| 2.709(33.04) | 100 | 5.050(17.55) | 80 | 1.689(54.27) | 70 | Natisite | Na2(TiO)SiO4 |
| 2.710(33.03) | 100 | 1.620(56.78) | 100 | 3.030(29.45) | 80 | Hibschite | Ca3Al2(SiO4)3-x(OH)4x(x=0.2-1.5) |
| 2.710(33.03) | 100 | 3.190(27.95) | 70 | 4.250(20.88) | 70 | Gismondine | Ca2Al4Si4O16•9(H2O) |
| 2.710(33.03) | 100 | 3.140(28.40) | 100 | 3.170(28.13) | 100 | Chevkinite-(Ce) | (Ce,La,Ca,Th)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22 |
| 2.710(33.03) | 100 | 3.090(28.87) | 80 | 7.910(11.18) | 70 | Scheuchzerite | Na(Mn,Mg)9[VSi9O28(OH)](OH)3 |
| 2.710(33.03) | 100 | 3.010(29.65) | 90 | 4.130(21.50) | 80 | Galileiite | NaFe++4(PO4)3 |
| 2.710(33.03) | 100 | 2.760(32.41) | 100 | 3.900(22.78) | 60 | Hematophanite | Pb4Fe+++3O8(OH,Cl) |
| 2.710(33.03) | 100 | 2.536(35.36) | 92 | 3.404(26.16) | 57 | Fluoro-ferroleakeite | NaNa2(Fe++2Fe+++2Li)Si8O22F2 |
| 2.710(33.03) | 100 | 1.950(46.53) | 95 | 2.960(30.17) | 95 | Matsubaraite | Sr4TiTi4Si4O22 |
| 2.710(33.03) | 100 | 1.760(51.91) | 63 | 3.440(25.88) | 40 | Marcasite | FeS2 |
| 2.710(33.03) | 100 | 2.420(37.12) | 100 | 2.850(31.36) | 80 | Crednerite | CuMnO2 |
| 2.710(33.03) | 100 | 2.220(40.60) | 100 | 2.290(39.31) | 80 | Marokite | CaMn+++2O4 |
| 2.710(33.03) | 100 | 2.960(30.17) | 95 | 1.950(46.53) | 95 | Matsubaraite | Sr4TiTi4Si4O22 |
| 2.710(33.03) | 100 | 3.170(28.13) | 100 | 3.140(28.40) | 100 | Chevkinite-(Ce) | (Ce,La,Ca,Th)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22 |
| 2.710(33.03) | 100 | 4.250(20.88) | 70 | 3.190(27.95) | 70 | Gismondine | Ca2Al4Si4O16•9(H2O) |
| 2.710(33.03) | 100 | 2.960(30.17) | 95 | 3.090(28.87) | 95 | Matsubaraite | Sr4TiTi4Si4O22 |
| 2.712(33.00) | 100 | 2.349(38.28) | 88 | 1.661(55.26) | 43 | Monteponite | CdO |
| 2.712(33.00) | 100 | 2.590(34.60) | 90 | 6.940(12.74) | 40 | Uytenbogaardtite | Ag3AuS2 |
| 2.712(33.00) | 100 | 3.023(29.52) | 90 | 2.477(36.24) | 80 | Krutaite | CuSe2 |
| 2.712(33.00) | 100 | 3.035(29.40) | 80 | 2.475(36.27) | 60 | Schorlomite | Ca3(Ti,Fe+++,Al)2[(Si,Fe+++,Fe++)O4]3 |
| 2.713(32.99) | 100 | 8.395(10.53) | 80 | 3.395(26.23) | 62 | Parvo-manganotremolite | [ ](CaMn)2Mg5(Si7Al)O22(OH)2 |
| 2.713(32.99) | 100 | 3.113(28.65) | 80 | 8.395(10.53) | 62 | Parvo-manganotremolite | [ ](CaMn)2Mg5(Si7Al)O22(OH)2 |
| 2.713(32.99) | 100 | 1.699(53.92) | 85 | 2.477(36.24) | 80 | Karelianite | V2O3 |
| 2.714(32.98) | 100 | 2.882(31.00) | 94 | 4.550(19.49) | 63 | Pyrocoproite | (Mg(K,Na))2P2O7 |