X-Ray Diffraction Table

X-Ray Diffraction Table

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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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Listing of 356 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.68912 AND d1 < 2.79888)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.690(33.28) 100 1.690(54.23) 60 2.510(35.74) 50 Hematite Fe2O3
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 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)
2.690(33.28) 100 2.480(36.19) 100 8.000(11.05) 80 Northupite Na3Mg(CO3)2Cl
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 2.860(31.25) 100 2.960(30.17) 100 Thomsonite-Sr (Sr,Ca)2Na[Al5Si5O20]•7(H2O)
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 Rosemaryite (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 Wyllieite (Na,Ca,Mn++)(Mn++,Fe++)(Fe++,Fe+++,Mg)Al(PO4)3
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 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 2.674(33.48) 100 6.150(14.39) 60 Ferrowyllieite (Na,Ca,Mn)(Fe++,Mn)(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 2.817(31.74) 50 2.788(32.08) 50 Harstigite Ca6MnBe4(SiO4)2(Si2O7)2(OH)2
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
2.696(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 2.015(44.95) 90 2.900(30.81) 80 Teepleite Na2B(OH)4Cl
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 8.381(10.55) 92 3.104(28.74) 69 Alumino-magnesiotaramite Na(CaNa)(Mg3Al2)(Si6Al2)O22(OH)2
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 2.020(44.83) 100 1.800(50.67) 100 Wilkmanite Ni3Se4
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 3.060(29.16) 100 2.830(31.59) 100 Saneroite Na2(Mn++,Fe+++)10Si11V+++++O34(OH)4
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 2.400(37.44) 100 2.300(39.13) 100 Bornhardtite Co++Co+++2Se4
2.700(33.15) 100 8.340(10.60) 82 3.094(28.83) 67 Fluoro-alumino-magnesiotaramite Na(CaNa)(Mg3Al2)(Si6Al2)O22F2
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 5.300(16.71) 100 4.080(21.76) 55 Kermesite Sb2S2O
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 2.830(31.59) 100 3.060(29.16) 100 Saneroite Na2(Mn++,Fe+++)10Si11V+++++O34(OH)4
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 2.015(44.95) 80 1.806(50.49) 60 Sederholmite NiSe
2.700(33.15) 100 1.910(47.57) 50 2.720(32.90) 40 Perovskite CaTiO3
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 5.060(17.51) 90 4.393(20.20) 90 Orientite Ca2Mn++Mn+++2Si3O10(OH)4
2.704(33.10) 100 4.393(20.20) 90 5.060(17.51) 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 3.123(28.56) 75 3.386(26.30) 67 Parvo-mangano-edenite Na(CaMn)2Mg5(Si7Al)O22(OH)2
2.708(33.05) 100 2.172(41.54) 100 2.648(33.82) 90 Crawfordite Na3Sr(PO4)(CO3)
2.709(33.04) 100 5.050(17.55) 80 1.689(54.27) 70 Natisite Na2(TiO)SiO4
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 1.758(51.97) 80 2.419(37.14) 80 Viaeneite (Fe,Pb)4S8O
2.709(33.04) 100 2.419(37.14) 80 1.758(51.97) 80 Viaeneite (Fe,Pb)4S8O
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 2.420(37.12) 100 2.850(31.36) 80 Crednerite CuMnO2
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 2.960(30.17) 95 3.090(28.87) 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 4.250(20.88) 70 3.190(27.95) 70 Gismondine Ca2Al4Si4O16•9(H2O)
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
2.712(33.00) 100 3.035(29.40) 80 2.475(36.27) 60 Schorlomite Ca3(Ti,Fe+++,Al)2[(Si,Fe+++,Fe++)O4]3
2.712(33.00) 100 3.023(29.52) 90 2.477(36.24) 80 Krutaite CuSe2
2.712(33.00) 100 2.590(34.60) 90 6.940(12.74) 40 Uytenbogaardtite Ag3AuS2
2.712(33.00) 100 2.349(38.28) 88 1.661(55.26) 43 Monteponite CdO
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 8.395(10.53) 80 3.395(26.23) 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
2.714(32.98) 100 3.120(28.59) 90 2.502(35.86) 80 Glaucophane [ ]Na2(Mg3Al2)Si8O22(OH)2
2.714(32.98) 100 3.610(24.64) 90 5.430(16.31) 80 Clinobehoite Be(OH)2
2.714(32.98) 100 6.770(13.07) 80 2.674(33.48) 75 Balangeroite (Mg,Fe+++,Fe++,Mn++)42Si16O54(OH)40
2.714(32.98) 100 8.360(10.57) 76 3.100(28.77) 66 Parvowinchite Na(NaMn++)(Mg4Fe+++)Si8O22(OH)2
2.714(32.98) 100 8.400(10.52) 80 2.562(34.99) 70 Potassic-chloropargasite (K,Na)Ca2(Mg,Fe2+)4Al(Si6Al2O22)(Cl,OH)2
2.715(32.96) 100 3.510(25.35) 80 1.840(49.50) 50 Retzian-(La) (Mn,Mg)2(La,Ce,Nd)(AsO4)(OH)4
2.715(32.96) 100 3.180(28.04) 50 2.160(41.78) 45 Polyakovite-(Ce) (Ce,La,Nd,Pr,Ca)4(Mg,Fe++)(Cr,Fe+++)2(Ti,Nb)2Si4O22
2.715(32.96) 100 2.730(32.78) 50 3.494(25.47) 47 IMA2008-064 Na16Mn++25Al8(PO4)30
2.715(32.96) 100 2.298(39.17) 36 1.683(54.48) 24 Indium In
2.715(32.96) 100 1.859(48.96) 50 1.983(45.72) 50 Sudovikovite PtSe2
2.715(32.96) 100 1.983(45.72) 50 1.859(48.96) 50 Sudovikovite PtSe2
2.717(32.94) 100 2.757(32.45) 100 4.040(21.98) 80 Soucekite PbCuBi(S,Se)3
2.717(32.94) 100 2.811(31.81) 80 2.261(39.84) 35 Carbonate-hydroxylapatite Ca5(PO4,CO3)3(OH)
2.717(32.94) 100 3.553(25.04) 80 1.848(49.27) 50 Retzian-(Ce) Mn2Ce(AsO4)(OH)4
2.718(32.93) 100 1.896(47.94) 50 1.955(46.41) 50 Verbeekite PdSe2
2.718(32.93) 100 2.497(35.94) 90 3.530(25.21) 90 Bideauxite Pb2AgCl3(F,OH)2
2.718(32.93) 100 2.848(31.38) 90 2.875(31.08) 85 Manganilvaite CaFe++Fe+++(Mn,Fe++)(Si2O7)O(OH)
2.718(32.93) 100 3.530(25.21) 90 2.497(35.94) 90 Bideauxite Pb2AgCl3(F,OH)2
2.718(32.93) 100 1.955(46.41) 50 1.896(47.94) 50 Verbeekite PdSe2
2.719(32.91) 100 4.110(21.60) 100 1.817(50.17) 80 Gmelinite-K (K,Na,Ca)6(Al7Si17O48)•22(H2O)
2.719(32.91) 100 1.817(50.17) 100 2.852(31.34) 80 Gmelinite-K (K,Na,Ca)6(Al7Si17O48)•22(H2O)

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