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 614 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.92138 AND d1 < 3.04062)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.922(30.57) 100 3.572(24.91) 60 4.530(19.58) 37 Sweetite Zn(OH)2
2.923(30.56) 100 3.069(29.07) 75 2.800(31.94) 55 Hydrodelhayelite KCa2AlSi7O17(OH)2•6(H2O)
2.924(30.55) 100 2.665(33.60) 90 2.722(32.88) 90 Hemloite (As,Sb)2(Ti,V,Fe,Al)12O23OH
2.924(30.55) 100 4.100(21.66) 100 7.250(12.20) 70 Petarasite Na5Zr2Si6O18(Cl,OH)•2(H2O)
2.924(30.55) 100 2.722(32.88) 90 2.665(33.60) 90 Hemloite (As,Sb)2(Ti,V,Fe,Al)12O23OH
2.925(30.54) 100 3.151(28.30) 100 4.640(19.11) 100 Amblygonite (Li,Na)Al(PO4)(F,OH)
2.925(30.54) 100 4.320(20.54) 75 9.350(9.45) 50 Chabazite-Ca (Ca0.5,Na,K)4[Al4Si8O24]•12H2O
2.925(30.54) 100 4.640(19.11) 100 3.151(28.30) 100 Amblygonite (Li,Na)Al(PO4)(F,OH)
2.926(30.53) 100 2.101(43.02) 80 2.036(44.46) 80 Bohdanowiczite AgBiSe2
2.926(30.53) 100 3.778(23.53) 90 1.642(55.95) 50 Pinalite Pb3(WO4)OCl2
2.926(30.53) 100 2.860(31.25) 53 2.553(35.12) 51 Dissakisite-(La) (Ca,Fe++,Th, La)(La,REE,Ca)(Al,Cr,Ti)2(Mg,Fe,Al)Si3O12(OH,F) with La > Ce
2.926(30.53) 100 2.036(44.46) 80 2.101(43.02) 80 Bohdanowiczite AgBiSe2
2.926(30.53) 100 1.700(53.89) 60 2.467(36.39) 50 Sanmartinite (Zn,Fe++)WO4
2.927(30.52) 100 3.435(25.92) 44 2.965(30.12) 36 Dixenite Cu+Mn++14Fe+++(As+++O3)5(SiO4)2(As+++++O4)(OH)6
2.929(30.49) 100 1.686(54.37) 91 2.437(36.85) 42 IMA2007-058 TiO2
2.929(30.49) 50 1.985(45.67) 25 2.155(41.89) 25 Zincospiroffite Zn2Te3O8
2.929(30.49) 50 1.985(45.67) 25 1.599(57.60) 25 Zincospiroffite Zn2Te3O8
2.929(30.49) 50 1.599(57.60) 25 1.985(45.67) 25 Zincospiroffite Zn2Te3O8
2.929(30.49) 100 2.976(3-) 100 3.573(24.90) 90 Watkinsonite PbCu2Bi4(Se,S)8
2.929(30.49) 100 2.626(34.11) 91 1.686(54.37) 42 IMA2007-058 TiO2
2.930(30.48) 100 12.520(7.05) 50 2.180(41.38) 50 Steigerite AlVO4•3(H2O)
2.930(30.48) 100 1.000(100.76) 60 1.630(56.40) 50 Daomanite CuPtAsS2
2.930(30.48) 100 2.110(42.82) 80 2.020(44.83) 70 Moncheite (Pt,Pd)(Te,Bi)2
2.930(30.48) 100 4.800(18.47) 80 2.210(40.80) 80 Kafehydrocyanite K4Fe++(CN)6•3(H2O)
2.930(30.48) 100 1.660(55.29) 80 3.880(22.90) 80 Blixite Pb8O5(OH)2Cl4
2.930(30.48) 100 2.860(31.25) 100 2.140(42.19) 90 Tyretskite Ca2B5O9(OH)•(H2O)
2.930(30.48) 100 2.507(35.79) 40 2.513(35.70) 30 Zirconolite-2M CaZrTi2O7
2.930(30.48) 100 1.826(49.90) 90 2.970(30.06) 90 Fedorite KNa4Ca4(Al,Si)16O36(OH,F)4•6(H2O)
2.930(30.48) 100 3.785(23.48) 50 2.825(31.65) 40 Mereheadite Pb2O(OH)Cl
2.930(30.48) 100 3.880(22.90) 80 1.660(55.29) 80 Blixite Pb8O5(OH)2Cl4
2.930(30.48) 100 5.660(15.64) 80 2.170(41.58) 80 Florencite-(Nd) (Nd,Ce)Al3(PO4)2(OH)6
2.930(30.48) 100 2.180(41.38) 50 12.520(7.05) 50 Steigerite AlVO4•3(H2O)
2.930(30.48) 100 2.170(41.58) 80 5.660(15.64) 80 Florencite-(Nd) (Nd,Ce)Al3(PO4)2(OH)6
2.930(30.48) 100 3.000(29.76) 90 1.575(58.56) 70 Aeschynite-(Nd) (Nd,Ce)(Ti,Nb)2(O,OH)6
2.930(30.48) 100 3.090(28.87) 90 3.180(28.04) 80 Wolfeite (Fe++,Mn++)2(PO4)(OH)
2.930(30.48) 100 3.290(27.08) 60 1.000(100.76) 50 Daomanite CuPtAsS2
2.930(30.48) 100 2.820(31.70) 40 2.507(35.79) 30 Zirconolite-2M CaZrTi2O7
2.930(30.48) 100 3.817(23.28) 70 2.548(35.19) 65 Poppiite Ca2(V+++,Fe+++,Mg)(V+++,Al)2(Si,Al)3(O,OH)14
2.930(30.48) 100 4.320(20.54) 65 6.360(13.91) 50 Herschelite (Na,Ca,K)AlSi2O6•3(H2O)
2.930(30.48) 100 5.660(15.64) 71 3.483(25.55) 50 Waylandite BiAl3(PO4)2(OH)6
2.930(30.48) 100 5.670(15.62) 90 2.171(41.56) 80 Florencite-(La) (La,Ce)Al3(PO4)2(OH)6
2.930(30.48) 100 2.725(32.84) 90 4.750(18.67) 65 Pumpellyite-(Mn++) Ca2(Mn++,Mg)(Al,Mn+++,Fe)2(SiO4)(Si2O7(OH)2•(H2O)
2.930(30.48) 100 2.210(40.80) 80 4.800(18.47) 80 Kafehydrocyanite K4Fe++(CN)6•3(H2O)
2.930(30.48) 100 2.970(30.06) 90 1.826(49.90) 90 Fedorite KNa4Ca4(Al,Si)16O36(OH,F)4•6(H2O)
2.931(30.47) 100 2.032(44.55) 85 6.550(13.51) 66 Lingunite (Na,Ca)AlSi3O8
2.931(30.47) 100 4.060(21.87) 70 7.370(12.00) 60 Loudounite NaCa5Zr4Si16O40(OH)11•8(H2O)
2.932(30.46) 100 5.864(15.10) 89 3.049(29.27) 87 Alacranite As8S9
2.933(30.45) 100 4.490(19.76) 90 2.655(33.73) 80 Mckelveyite-(Nd) (Ba,Sr)(Ca,Na,Nd,REE)(CO3)2•3-10(H2O)
2.933(30.45) 100 2.739(32.67) 75 4.550(19.49) 70 Arsenoclasite Mn5(AsO4)2(OH)4
2.933(30.45) 100 2.559(35.04) 85 3.962(22.42) 55 Liddicoatite Ca(Li,Al)3Al6(BO3)3Si6O18(O,OH,F)4
2.934(30.44) 100 2.674(33.48) 60 3.090(28.87) 45 Pyroxferroite (Fe++,Mn)7[Si7O21]
2.936(30.42) 100 3.093(28.84) 100 8.682(10.18) 100 Barringtonite MgCO3•2(H2O)
2.936(30.42) 100 2.586(34.66) 80 2.703(33.11) 80 Manganipiemontite-(Sr) CaSr(Mn+++,Fe+++)2Al[Si3O12](OH)
2.936(30.42) 100 8.682(10.18) 100 3.093(28.84) 100 Barringtonite MgCO3•2(H2O)
2.936(30.42) 100 2.182(41.34) 80 2.586(34.66) 80 Manganipiemontite-(Sr) CaSr(Mn+++,Fe+++)2Al[Si3O12](OH)
2.936(30.42) 100 12.700(6.95) 70 2.608(34.36) 35 Benleonardite Ag8(Sb,As)Te2S3
2.936(30.42) 100 2.586(34.66) 80 2.182(41.34) 80 Manganipiemontite-(Sr) CaSr(Mn+++,Fe+++)2Al[Si3O12](OH)
2.937(30.41) 100 3.888(22.85) 51 7.810(11.32) 35 Belkovite Ba3(Nb,Ti)6(Si2O7)2O12
2.937(30.41) 100 2.702(33.13) 90 2.659(33.68) 80 Polyphite-VII Na17Ca3Mg(Ti,Mn)4[Si2O7]2(PO4)6O2F6
2.937(30.41) 100 2.702(33.13) 90 2.659(33.68) 80 Polyphite-VIII Na17Ca3Mg(Ti,Mn)4[Si2O7]2(PO4)6O2F6
2.937(30.41) 100 3.195(27.90) 65 3.369(26.43) 60 Topaz Al2SiO4(F,OH)2
2.938(30.40) 100 3.398(26.20) 100 3.175(28.08) 100 Ferrilotharmeyerite Ca(Zn,Cu++)(Fe+++,Zn)(AsO4)2(OH,H2O)2
2.938(30.40) 100 2.998(29.78) 100 3.100(28.77) 100 Manganbabingtonite Ca2(Mn,Fe++)Fe+++Si5O14(OH)
2.938(30.40) 100 3.100(28.77) 100 2.998(29.78) 100 Manganbabingtonite Ca2(Mn,Fe++)Fe+++Si5O14(OH)
2.938(30.40) 100 3.175(28.08) 100 3.398(26.20) 100 Ferrilotharmeyerite Ca(Zn,Cu++)(Fe+++,Zn)(AsO4)2(OH,H2O)2
2.939(30.39) 100 2.640(33.93) 100 11.400(7.75) 100 Raite Na4Mn++4Si8(O,OH)24•9(H2O)
2.940(30.38) 100 2.009(45.09) 50 1.831(49.76) 50 IMA2008-009 Sr5(PO4)3F
2.940(30.38) 100 1.804(50.55) 100 1.539(60.07) 100 Tazheranite CaTiZr2O8
2.940(30.38) 100 1.813(50.28) 100 1.548(59.68) 100 Lewisite (Ca,Fe++,Na)2(Sb,Ti)2O7
2.940(30.38) 100 1.472(63.11) 50 3.370(26.43) 50 Crerarite (Pt,Pb)Bi3(S,Se)4-x (x~0.7)
2.940(30.38) 100 2.880(31.03) 100 3.450(25.80) 90 Potosiite Pb6Sn2FeSb2S14
2.940(30.38) 100 4.670(18.99) 80 13.100(6.74) 70 Mountainite (Ca,Na2,K2)2Si4O10•3(H2O)
2.940(30.38) 100 3.107(28.71) 90 3.221(27.67) 70 Triploidite (Mn,Fe++)2(PO4)(OH)
2.940(30.38) 100 3.290(27.08) 100 1.650(55.66) 80 Bazzite Be3(Sc,Al)2Si6O18
2.940(30.38) 100 3.060(29.16) 80 1.890(48.10) 60 Rosenbuschite (Ca,Na)3(Zr,Ti)Si2O8F
2.940(30.38) 100 3.000(29.76) 90 3.100(28.77) 80 Roeblingite Pb2Ca6(Si6O18)(SO4)2(OH)2•4(H2O)
2.940(30.38) 100 3.000(29.76) 100 1.581(58.31) 70 Tantalaeschynite-(Y) (Y,Ce,Ca)(Ta,Ti,Nb)2O6
2.940(30.38) 100 2.478(36.22) 48 2.863(31.22) 45 Kushiroite CaAl2SiO6
2.940(30.38) 100 1.983(45.72) 90 2.680(33.41) 80 Testibiopalladite PdTe(Sb,Te)
2.940(30.38) 100 1.970(46.03) 56 5.040(17.58) 53 Paratooite-(La) REE3(Ca,Sr)2NaCu(CO3)8
2.940(30.38) 100 1.890(48.10) 94 2.190(41.19) 86 Woodhouseite CaAl3(PO4)(SO4)(OH)6
2.940(30.38) 100 1.831(49.76) 50 2.009(45.09) 50 IMA2008-009 Sr5(PO4)3F
2.940(30.38) 100 1.814(50.25) 30 1.837(49.58) 25 Kutnohorite Ca(Mn,Mg,Fe++)(CO3)2
2.940(30.38) 100 3.370(26.43) 50 1.472(63.11) 50 Crerarite (Pt,Pb)Bi3(S,Se)4-x (x~0.7)
2.940(30.38) 100 4.430(20.03) 90 2.890(30.92) 80 Orthojoaquinite-(Ce) NaFe++Ba2Ce2Ti2[Si4O12]2 O2(OH)•(H2O)
2.940(30.38) 100 1.710(53.55) 90 2.240(40.23) 80 Uvanite U++++++2V+++++6O21•15(H2O)
2.940(30.38) 100 1.801(50.64) 80 1.535(60.24) 50 Tennantite (Cu,Fe)12As4S13
2.940(30.38) 100 6.600(13.40) 80 4.670(18.99) 70 Mountainite (Ca,Na2,K2)2Si4O10•3(H2O)
2.940(30.38) 100 5.920(14.95) 60 4.440(19.98) 40 Paranatrolite Na2[Al2Si3O10]•3(H2O)
2.941(30.37) 100 3.185(27.99) 100 3.824(23.24) 94 Mazzite-Mg K2CaMg2(Al,Si)36O72•28(H2O)
2.941(30.37) 100 4.750(18.67) 45 3.752(23.69) 35 Ferberite Fe++WO4
2.942(30.36) 100 4.054(21.91) 60 2.139(42.21) 35 Phosphohedyphane Ca2Pb3(PO4)3Cl
2.943(30.35) 100 4.480(19.80) 90 3.445(25.84) 90 Stillwellite-(Ce) (Ce,La,Ca)BSiO5
2.943(30.35) 100 1.805(50.52) 70 3.074(29.02) 60 Putzite (Cu4.7Ag3.3)GeS6
2.943(30.35) 100 3.445(25.84) 90 4.480(19.80) 90 Stillwellite-(Ce) (Ce,La,Ca)BSiO5
2.944(30.34) 100 3.922(22.65) 85 2.813(31.78) 30 Plumboferrite Pb2Fe+++(11-x)Mn++xO19-2x (x=1/3)
2.944(30.34) 100 2.857(31.28) 100 4.625(19.17) 100 Thomsonite-Ca NaCa2Al5Si5O20•6(H2O)
2.945(30.32) 100 1.801(50.64) 100 1.537(60.15) 90 Calzirtite CaZr3TiO9
2.945(30.32) 100 5.710(15.51) 95 3.503(25.41) 40 Zairite Bi(Fe+++,Al)3(PO4)2(OH)6
2.946(30.31) 100 3.011(29.64) 100 2.814(31.77) 90 Sahlinite Pb14(AsO4)2O9Cl4

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