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 508 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.06054 AND d1 < 3.18546)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.061(29.15) 100 2.585(34.67) 70 2.841(31.46) 60 Goedkenite (Sr,Ca)2Al(PO4)2(OH)
3.062(29.14) 100 2.585(34.67) 90 3.442(25.86) 60 Trabzonite Ca4Si3O10•2(H2O)
3.062(29.14) 100 2.943(30.35) 35 3.259(27.34) 30 Cuspidine Ca4Si2O7(F,OH)2
3.062(29.14) 100 3.065(29.11) 100 2.730(32.78) 89 Dickinsonite-(KMnNa) KNaMnNa3Ca(Mn,Fe,Mg)13Al(PO4)11(PO4)(OH,F)2
3.062(29.14) 100 2.730(32.78) 100 2.730(32.78) 89 Dickinsonite-(KMnNa) KNaMnNa3Ca(Mn,Fe,Mg)13Al(PO4)11(PO4)(OH,F)2
3.064(29.12) 100 1.876(48.48) 70 1.611(57.13) 60 Gallite CuGaS2
3.064(29.12) 100 3.348(26.60) 80 4.654(19.05) 80 Rajite CuTe++++2O5
3.064(29.12) 100 4.654(19.05) 80 3.348(26.60) 80 Rajite CuTe++++2O5
3.065(29.11) 100 3.062(29.14) 100 2.730(32.78) 89 Dickinsonite-(KMnNa) KNaMnNa3Ca(Mn,Fe,Mg)13Al(PO4)11(PO4)(OH,F)2
3.065(29.11) 100 3.147(28.34) 76 2.548(35.19) 29 Ameghinite NaB3O3(OH)4
3.065(29.11) 100 2.857(31.28) 90 4.162(21.33) 80 Monazite-(Sm) SmPO4
3.066(29.10) 100 2.242(40.19) 70 3.583(24.83) 50 Nordstromite Pb3CuBi7(S10Se4)
3.066(29.10) 100 1.933(46.97) 55 2.546(35.22) 12 Tetrarooseveltite BiAsO4
3.066(29.10) 100 5.933(14.92) 95 1.829(49.81) 70 Plumbojarosite PbFe+++6(SO4)4(OH)12
3.067(29.09) 100 1.910(47.57) 80 2.710(33.03) 78 IMA2008-039 (NH4)3PbCl5
3.067(29.09) 100 2.020(44.83) 80 1.910(47.57) 78 IMA2008-039 (NH4)3PbCl5
3.067(29.09) 100 2.946(30.31) 31 2.744(32.61) 28 Massicot PbO
3.068(29.08) 100 7.350(12.03) 90 10.290(8.59) 80 Goldichite KFe+++(SO4)2•4(H2O)
3.068(29.08) 100 3.623(24.55) 92 3.995(22.23) 65 Manganonaujakasite Na6(Mn,Fe++ )Al4Si8O26
3.069(29.07) 100 4.250(20.88) 75 4.015(22.12) 70 Nepheline (Na,K)AlSiO4
3.070(29.06) 100 2.990(29.86) 100 2.812(31.80) 100 Jeppeite (K,Ba)2(Ti,Fe+++)6O13
3.070(29.06) 100 3.590(24.78) 100 3.310(26.91) 100 Polylithionite KLi2AlSi4O10(F,OH)2
3.070(29.06) 100 2.770(32.29) 100 3.210(27.77) 80 Talmessite Ca2Mg(AsO4)2•2(H2O)
3.070(29.06) 100 2.740(32.65) 60 2.080(43.47) 60 Chambersite Mn3B7O13Cl
3.070(29.06) 100 2.180(41.38) 30 2.160(41.78) 30 Stistaite SnSb
3.070(29.06) 100 3.260(27.33) 90 2.860(31.25) 90 Cheralite-(Ce) (Ce,Ca,Th)(P,Si)O4
3.070(29.06) 100 3.460(25.73) 84 3.260(27.33) 84 Lithosite K6Al4Si8O25•(H2O)
3.070(29.06) 100 3.052(29.24) 100 4.195(21.16) 100 Anthoinite AlWO3(OH)3
3.070(29.06) 100 1.331(70.72) 100 1.884(48.27) 80 Maikainite Cu20(Fe,Cu)6Mo2Ge6S32
3.070(29.06) 100 2.260(39.86) 100 2.110(42.82) 90 Sobolevskite PdBi
3.070(29.06) 100 2.730(32.78) 60 3.250(27.42) 40 Cuprobismutite Cu10Bi12S23
3.070(29.06) 100 2.160(41.78) 30 2.180(41.38) 30 Stistaite SnSb
3.070(29.06) 100 2.480(36.19) 90 3.930(22.61) 40 Chalcothallite (Cu,Fe)6Tl2SbS4
3.070(29.06) 100 1.890(48.10) 80 1.600(57.56) 60 Mooihoekite Cu9Fe9S16
3.070(29.06) 100 2.860(31.25) 90 3.260(27.33) 90 Cheralite-(Ce) (Ce,Ca,Th)(P,Si)O4
3.070(29.06) 100 3.100(28.77) 100 2.860(31.25) 80 Thoreaulite Sn++Ta2O6
3.070(29.06) 100 3.260(27.33) 84 3.460(25.73) 84 Lithosite K6Al4Si8O25•(H2O)
3.070(29.06) 100 3.310(26.91) 100 3.590(24.78) 100 Polylithionite KLi2AlSi4O10(F,OH)2
3.070(29.06) 100 5.960(14.85) 90 3.670(24.23) 60 Kintoreite PbFe+++3(PO4)2(OH,H2O)6
3.070(29.06) 100 1.880(48.37) 80 1.890(48.10) 60 Haycockite Cu4Fe5S8
3.070(29.06) 100 1.843(49.41) 70 2.750(32.53) 50 Hauerite MnS2
3.070(29.06) 100 1.240(76.81) 90 1.910(47.57) 80 Cuprotungstite Cu++3(WO4)2(OH)2
3.070(29.06) 100 6.160(14.37) 85 3.210(27.77) 75 Kalipyrochlore (H2O,Sr)(Nb,Ti)(O,OH)6•(H2O,K)
3.070(29.06) 100 2.080(43.47) 60 2.740(32.65) 60 Chambersite Mn3B7O13Cl
3.071(29.05) 100 3.929(22.61) 70 2.558(35.05) 40 Panunzite (K,Na)AlSiO4
3.071(29.05) 100 4.698(18.87) 72 3.279(27.17) 69 Helmutwinklerite PbZn2(AsO4)2•2(H2O)
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 5.900(15.00) 90 1.971(46.01) 50 Springcreekite BaV+++3(PO4)2(OH,H2O)6
3.073(29.03) 100 3.119(28.60) 60 2.464(36.43) 50 IMA2009-016 Cu4H(AsO4)2(OH)3•H2O
3.074(29.02) 100 3.192(27.93) 100 2.706(33.08) 40 Gabrielsonite PbFe++(AsO4)(OH)
3.074(29.02) 100 2.090(43.25) 80 2.267(39.73) 70 Skippenite Bi2Se2(Te,S)
3.075(29.01) 100 3.019(29.56) 80 2.843(31.44) 50 Dervillite Ag2AsS2
3.075(29.01) 100 1.880(48.37) 80 1.600(57.56) 60 Colusite Cu12-13V(As,Sb,Sn,Ge)3S16
3.076(29.00) 100 3.370(26.43) 80 2.950(30.27) 67 Rebulite Tl5Sb5As8S22
3.076(29.00) 100 2.950(30.27) 80 2.186(41.26) 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 2.275(39.58) 60 3.591(24.77) 60 Vergasovaite Cu3O[(Mo,S)O4][SO4]
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 2.031(44.58) 50 2.955(30.22) 50 Nacareniobsite-(Ce) NbNa3Ca3(Ce,La)(Si2O7)2OF3
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 2.955(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 2.500(35.89) 60 Vergasovaite Cu3O[(Mo,S)O4][SO4]
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 12.300(7.18) 35 6.158(14.37) 25 Delhayelite (Na,K)10Ca5Al6Si32O80(Cl2,F2,SO4)3•18(H2O)
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
3.080(28.97) 100 2.550(35.16) 100 3.480(25.58) 90 Prehnite Ca2Al2Si3O10(OH)2
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 2.907(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 1.980(45.79) 100 1.892(48.05) 100 Hypercinnabar HgS
3.080(28.97) 100 3.440(25.88) 90 2.940(30.38) 80 Kalborsite K6Al4Si6BO20(OH)4Cl
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 2.110(42.82) 50 2.240(40.23) 50 Joseite Bi4(S,Te)3
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 3.200(27.86) 90 2.840(31.47) 60 Orickite CuFeS2•(H2O)
3.080(28.97) 100 3.260(27.33) 100 2.483(36.15) 80 Blossite Cu2V+++++2O7
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 2.483(36.15) 100 3.220(27.68) 80 Blossite Cu2V+++++2O7
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 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)
3.080(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 1.641(55.99) 80 2.907(30.73) 80 Canasite (Na,K)6Ca5Si12O30(OH,F)4
3.081(28.96) 100 8.277(10.68) 81 3.261(27.33) 74 Paulingite-K (K2,Ca,Na2,Ba)5Al10Si35O90•45(H2O)

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