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 353 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.68716 AND d1 < 2.79684)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.688(33.30) 100 2.996(29.80) 69 2.963(30.14) 48 Schlegelite Bi7O4(MoO4)2(AsO4)3
2.688(33.30) 100 3.005(29.71) 65 1.607(57.28) 49 Goldmanite Ca3(V,Al,Fe+++)2(SiO4)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 3.038(29.38) 40 3.130(28.49) 37 Hillite Ca2(Zn, Mg)[PO4]2•2(H2O)
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 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
2.691(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)
2.691(33.27) 100 2.860(31.25) 100 2.960(30.17) 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 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
2.693(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 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 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
2.697(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 8.400(10.52) 90 2.530(35.45) 90 Winchite [ ](CaNa)Mg4(Al,Fe3+)Si8O22(OH)2
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 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 5.750(15.40) 100 2.445(36.73) 90 Claringbullite Cu++4(OH)7Cl
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 2.015(44.95) 80 1.806(50.49) 60 Sederholmite NiSe
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 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 3.499(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
2.702(33.13) 100 3.150(28.31) 80 1.887(48.18) 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 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 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
2.710(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 3.140(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 3.190(27.95) 70 4.250(20.88) 70 Gismondine Ca2Al4Si4O16•9(H2O)
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 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 3.090(28.87) 95 Matsubaraite Sr4TiTi4Si4O22
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 4.250(20.88) 70 3.190(27.95) 70 Gismondine Ca2Al4Si4O16•9(H2O)
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
2.712(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 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 8.400(10.52) 80 2.562(34.99) 70 Potassic-chloropargasite (K,Na)Ca2(Mg,Fe2+)4Al(Si6Al2O22)(Cl,OH)2
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 6.770(13.07) 80 2.674(33.48) 75 Balangeroite (Mg,Fe+++,Fe++,Mn++)42Si16O54(OH)40
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 2.882(31.00) 94 4.550(19.49) 63 Pyrocoproite (Mg(K,Na))2P2O7
2.714(32.98) 100 3.610(24.64) 90 5.430(16.31) 80 Clinobehoite Be(OH)2
2.715(32.96) 100 1.859(48.96) 50 1.983(45.72) 50 Sudovikovite PtSe2
2.715(32.96) 100 2.298(39.17) 36 1.683(54.48) 24 Indium In
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 1.983(45.72) 50 1.859(48.96) 50 Sudovikovite PtSe2
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
2.717(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 2.757(32.45) 100 4.040(21.98) 80 Soucekite PbCuBi(S,Se)3
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 2.848(31.38) 90 2.875(31.08) 85 Manganilvaite CaFe++Fe+++(Mn,Fe++)(Si2O7)O(OH)
2.718(32.93) 100 1.896(47.94) 50 1.955(46.41) 50 Verbeekite PdSe2
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
2.718(32.93) 100 2.497(35.94) 90 3.530(25.21) 90 Bideauxite Pb2AgCl3(F,OH)2

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