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 574 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.018988 AND d1 < 3.142212)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.020(29.55) 100 1.506(61.52) 60 2.810(31.82) 60 Nagyagite AuPb(Sb,Bi)Te2-3S6
3.020(29.55) 100 2.810(31.82) 80 2.130(42.40) 80 Ningyoite (U,Ca,Ce)2(PO4)2•1-2(H2O)
3.020(29.55) 100 2.400(37.44) 100 1.945(46.66) 100 Chvilevaite Na(Cu,Fe,Zn)2S2
3.020(29.55) 100 4.400(20.16) 80 2.830(31.59) 80 Rhabdophane-(La) (La,Ce)PO4•(H2O)
3.020(29.55) 100 5.840(15.16) 80 3.550(25.06) 80 Arsenogorceixite BaAl3AsO3(OH)(AsO4,PO4)(OH,F)6
3.020(29.55) 100 2.856(31.29) 100 10.110(8.74) 85 Iquiqueite K3Na4Mg(Cr++++++O4)B24O39(OH)•12(H2O)
3.020(29.55) 100 2.070(43.69) 90 2.000(45.30) 90 Garrelsite-VIII Ba3NaSi2B7O16(OH)4
3.020(29.55) 100 2.610(34.33) 70 1.850(49.21) 70 Stetefeldtite Ag2Sb2O6(O,OH)
3.020(29.55) 100 2.630(34.06) 100 3.190(27.95) 100 Isokite CaMg(PO4)F
3.020(29.55) 100 2.810(31.82) 60 1.506(61.52) 60 Nagyagite AuPb(Sb,Bi)Te2-3S6
3.020(29.55) 100 1.508(61.43) 100 1.793(50.88) 70 Calciotantite Ca(Ta,Nb)4O11
3.020(29.55) 100 2.900(30.81) 100 3.210(27.77) 80 Pigeonite (Mg,Fe++,Ca)(Mg,Fe++)Si2O6
3.020(29.55) 100 2.950(30.27) 100 3.090(28.87) 25 Yttropyrochlore-(Y) (Y,Na,Ca,U)1-2(Nb,Ta,Ti)2(O,OH)7
3.020(29.55) 100 1.861(48.90) 90 1.581(58.31) 90 Plumbopyrochlore (Pb,Y,U,Ca)2-xNb2O6(OH)
3.020(29.55) 100 2.830(31.59) 80 4.400(20.16) 80 Rhabdophane-(La) (La,Ce)PO4•(H2O)
3.020(29.55) 100 2.537(35.35) 80 2.960(30.17) 40 Petedunnite Ca(Zn,Mn++,Fe++,Mg)Si2O6
3.020(29.55) 100 2.778(32.20) 90 1.556(59.34) 80 Natrotantite Na2Ta4O11
3.020(29.55) 100 2.000(45.30) 90 2.070(43.69) 90 Garrelsite-VIII Ba3NaSi2B7O16(OH)4
3.020(29.55) 100 2.991(29.85) 80 3.204(27.82) 55 Scawtite Ca7Si6(CO3)O18•2(H2O)
3.020(29.55) 100 3.030(29.45) 60 2.592(34.58) 28 Nagashimalite Ba4(V+++,Ti)4Si8B2O27Cl(O,OH)2
3.020(29.55) 100 3.550(25.06) 80 5.840(15.16) 80 Arsenogorceixite BaAl3AsO3(OH)(AsO4,PO4)(OH,F)6
3.020(29.55) 100 5.820(15.21) 90 3.560(24.99) 80 Philipsbornite PbAl3(AsO4)2(OH)5•(H2O)
3.020(29.55) 100 1.863(48.85) 50 2.660(33.67) 40 Canfieldite Ag8SnS6
3.020(29.55) 100 1.850(49.21) 70 2.610(34.33) 70 Stetefeldtite Ag2Sb2O6(O,OH)
3.020(29.55) 100 5.910(14.98) 90 2.870(31.14) 80 Umbite K2ZrSi3O9•(H2O)
3.020(29.55) 100 1.581(58.31) 90 1.861(48.90) 90 Plumbopyrochlore (Pb,Y,U,Ca)2-xNb2O6(OH)
3.020(29.55) 100 2.130(42.40) 80 2.810(31.82) 80 Ningyoite (U,Ca,Ce)2(PO4)2•1-2(H2O)
3.022(29.53) 100 3.510(25.35) 100 2.615(34.26) 90 Davanite K2TiSi6O15
3.022(29.53) 100 4.340(20.45) 50 2.205(40.89) 30 Ikunolite Bi4(S,Se)3
3.023(29.52) 100 5.040(17.58) 93 2.996(29.80) 50 Ammonioalunite (NH4)Al3(SO4)2(OH)6
3.024(29.51) 100 1.852(49.15) 80 1.581(58.31) 70 Sinnerite Cu6As4S9
3.024(29.51) 100 4.420(20.07) 91 3.493(25.48) 88 Ximengite BiPO4
3.025(29.50) 100 3.206(27.80) 100 2.798(31.96) 50 Fergusonite-beta-(Nd) (Nd,Ce)NbO4
3.027(29.48) 100 2.192(41.15) 100 2.088(43.30) 80 Stumpflite Pt(Sb,Bi)
3.027(29.48) 100 2.809(31.83) 100 3.108(28.70) 100 Calciocopiapite CaFe+++4(SO4)6(OH)2•19(H2O)
3.028(29.47) 100 2.881(31.02) 100 3.189(27.96) 58 Rustumite Ca10(Si2O7)2(SiO4)Cl2(OH)2
3.028(29.47) 100 2.050(44.14) 73 2.711(33.01) 66 Trembathite (Mg,Fe++)3B7O13Cl
3.029(29.46) 100 2.780(32.17) 90 3.082(28.95) 90 Irtyshite Na2(Ta,Nb)4O11
3.029(29.46) 100 3.082(28.95) 90 2.780(32.17) 90 Irtyshite Na2(Ta,Nb)4O11
3.030(29.45) 100 3.360(26.51) 75 3.250(27.42) 75 Kerstenite PbSeO4 (?)
3.030(29.45) 100 3.350(26.59) 80 3.230(27.59) 80 Clinoferrosilite (Fe++,Mg)2Si2O6
3.030(29.45) 100 2.974(30.02) 100 4.821(18.39) 90 Vigezzite (Ca,Ce)(Nb,Ta,Ti)2O6
3.030(29.45) 100 4.370(20.30) 70 2.830(31.59) 70 Brockite (Ca,Th,Ce)(PO4)•(H2O)
3.030(29.45) 100 3.760(23.64) 100 7.270(12.16) 100 Laplandite-(Ce) Na4CeTiPSi7O22•5(H2O)
3.030(29.45) 100 3.760(23.64) 100 3.350(26.59) 100 Laplandite-(Ce) Na4CeTiPSi7O22•5(H2O)
3.030(29.45) 100 2.800(31.94) 70 2.470(36.34) 70 Billingsleyite Ag7AsS6
3.030(29.45) 100 3.550(25.06) 70 2.460(36.49) 70 Fenaksite (K,Na,Ca)4(Fe++,Fe+++,Mn)2Si8O20(OH,F)
3.030(29.45) 100 2.429(36.98) 90 1.549(59.64) 90 Ferrosaponite Ca0.3(Fe++,Mg,Fe+++)3(Si,Al)4O10(OH)2•4(H2O)
3.030(29.45) 100 2.429(36.98) 90 2.585(34.67) 90 Ferrosaponite Ca0.3(Fe++,Mg,Fe+++)3(Si,Al)4O10(OH)2•4(H2O)
3.030(29.45) 100 2.960(30.17) 100 1.550(59.60) 60 Nioboaeschynite-(Ce) (Ce,Ca)(Nb,Ti)2(O,OH)6
3.030(29.45) 100 7.590(11.65) 70 2.286(39.38) 25 Inyoite Ca2B6O6(OH)10•8(H2O)
3.030(29.45) 100 7.270(12.16) 100 3.760(23.64) 100 Laplandite-(Ce) Na4CeTiPSi7O22•5(H2O)
3.030(29.45) 100 2.830(31.59) 70 4.370(20.30) 70 Brockite (Ca,Th,Ce)(PO4)•(H2O)
3.030(29.45) 100 6.040(14.65) 80 3.180(28.04) 65 Bariomicrolite Ba(Ta,Nb)2(O,OH)7
3.030(29.45) 100 5.860(15.11) 65 2.237(40.28) 55 Corkite PbFe+++3(PO4)(SO4)(OH)6
3.030(29.45) 100 3.560(24.99) 80 5.840(15.16) 70 Arsenogoyazite (Sr,Ca,Ba)Al3(AsO4,PO4)2(OH,F)5•(H2O)
3.030(29.45) 100 3.440(25.88) 100 3.780(23.52) 90 Marialite Na4Al3Si9O24Cl
3.030(29.45) 100 3.250(27.42) 75 3.360(26.51) 75 Kerstenite PbSeO4 (?)
3.030(29.45) 100 2.880(31.03) 90 3.350(26.59) 60 Finnemanite Pb5(As+++O3)3Cl
3.030(29.45) 100 2.969(30.07) 70 2.935(30.43) 60 Morelandite (Ba,Ca,Pb)5(AsO4,PO4)3Cl
3.030(29.45) 100 3.000(29.76) 90 2.680(33.41) 80 Miharaite Cu4FePbBiS6
3.030(29.45) 100 3.127(28.52) 88 3.236(27.54) 84 Sazykinaite-(Y) Na5YZrSi6018•6(H2O)
3.030(29.45) 100 3.240(27.51) 80 1.865(48.79) 60 Lisiguangite CuPtBiS3
3.030(29.45) 100 2.470(36.34) 70 2.800(31.94) 70 Billingsleyite Ag7AsS6
3.030(29.45) 100 2.460(36.49) 70 3.550(25.06) 70 Fenaksite (K,Na,Ca)4(Fe++,Fe+++,Mn)2Si8O20(OH,F)
3.030(29.45) 100 1.549(59.64) 90 2.429(36.98) 90 Ferrosaponite Ca0.3(Fe++,Mg,Fe+++)3(Si,Al)4O10(OH)2•4(H2O)
3.030(29.45) 100 1.854(49.10) 80 1.591(57.91) 60 Kharaelakhite (Pt,Cu,Pb,Fe,Ni)9S8
3.030(29.45) 100 1.854(49.10) 80 1.591(57.91) 60 Chalcopyrite CuFeS2
3.030(29.45) 100 1.858(48.99) 90 2.628(34.09) 80 Natrobistantite (Na,Cs)Bi(Ta,Nb,Sb)4O12
3.030(29.45) 100 2.100(43.04) 90 2.930(30.48) 60 Kostovite CuAuTe4
3.030(29.45) 100 2.960(30.17) 60 2.920(30.59) 50 Hedyphane Ca2Pb3(AsO4)3Cl
3.030(29.45) 100 2.110(42.82) 80 2.940(30.38) 50 Muthmannite AgAuTe2
3.030(29.45) 100 2.110(42.82) 70 2.940(30.38) 60 Krennerite AuTe2
3.030(29.45) 100 2.230(40.41) 60 1.404(66.55) 40 Paraguanajuatite Bi2(Se,S)3
3.030(29.45) 100 2.290(39.31) 33 1.749(52.26) 30 Carlinite Tl2S
3.030(29.45) 100 1.510(61.34) 80 1.918(47.36) 70 Cooperite (Pt,Pd,Ni)S
3.030(29.45) 100 2.311(38.94) 25 1.898(47.89) 16 Nitratine NaNO3
3.030(29.45) 100 3.230(27.59) 80 3.350(26.59) 80 Clinoferrosilite (Fe++,Mg)2Si2O6
3.031(29.44) 100 3.032(29.43) 100 3.211(27.76) 47 Fluorarrojadite-(BaFe) (Ba,K,Pb)Na3(Ca,Sr)(Fe++,Mg,Mn)14Al(PO4)11(PO3OH)(F,OH)2
3.032(29.43) 100 3.031(29.44) 100 3.211(27.76) 48 Fluorarrojadite-(BaFe) (Ba,K,Pb)Na3(Ca,Sr)(Fe++,Mg,Mn)14Al(PO4)11(PO3OH)(F,OH)2
3.032(29.43) 100 3.510(25.35) 100 8.790(10.05) 80 Piretite Ca(UO2)3(SeO3)2(OH)4-4(H2O)
3.032(29.43) 100 3.619(24.58) 80 2.595(34.53) 60 Parafransoletite Ca3Be2(PO4)2(PO3,OH)2•4(H2O)
3.032(29.43) 100 2.703(33.11) 68 3.211(27.76) 47 Fluorarrojadite-(BaNa) BaFe++Na2Ca(Fe++,Mn,Mg)13Al(PO4)11(PO3OH)(F,OH)2
3.034(29.41) 100 2.715(32.96) 80 2.585(34.67) 30 Xenophyllite Na4Fe7(PO4)6
3.035(29.40) 100 2.285(39.40) 18 2.095(43.14) 18 Calcite CaCO3
3.035(29.40) 100 2.095(43.14) 18 2.285(39.40) 18 Calcite CaCO3
3.036(29.39) 100 1.757(52.00) 80 5.290(16.75) 70 Zajacite-(Ce) Na(REExCa1-x)(REEyCa1-y)F6 where (x ne y)
3.036(29.39) 100 3.015(29.60) 70 2.894(30.87) 60 Natron Na2CO3•10(H2O)
3.036(29.39) 100 3.343(26.64) 60 7.223(12.24) 50 Choloalite CuPb(Te++++O3)2
3.037(29.39) 100 3.561(24.98) 90 3.076(29.00) 90 Reedmergnerite NaBSi3O8
3.037(29.39) 100 3.076(29.00) 90 3.561(24.98) 90 Reedmergnerite NaBSi3O8
3.038(29.38) 100 2.543(35.26) 75 2.979(29.97) 75 Jervisite (Na,Ca,Fe++)(Sc,Mg,Fe++)Si2O6
3.038(29.38) 100 2.964(30.13) 91 4.835(18.33) 91 Rynersonite Ca(Ta,Nb)2O6
3.038(29.38) 100 4.835(18.33) 91 2.964(30.13) 91 Rynersonite Ca(Ta,Nb)2O6
3.038(29.38) 100 5.850(15.13) 90 3.590(24.78) 40 Gallobeudantite PbGa3[(AsO4),(SO4)]2(OH)6
3.038(29.38) 100 2.979(29.97) 75 2.543(35.26) 75 Jervisite (Na,Ca,Fe++)(Sc,Mg,Fe++)Si2O6
3.039(29.37) 100 5.320(16.65) 80 2.723(32.86) 60 Fianelite Mn++2V+++++(V+++++,As+++++)O7•2(H2O)
3.039(29.37) 100 2.564(34.97) 47 2.619(34.21) 40 Davisite Ca(Sc,Ti+++,Mg,Ti++++)AlSiO6
3.040(29.36) 100 9.600(9.20) 100 1.710(53.55) 80 Sampleite NaCaCu5(PO4)4Cl•5(H2O)
3.040(29.36) 100 1.870(48.65) 100 1.590(57.95) 50 Arsenosulvanite Cu3(As,V)S4

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