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 550 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.0233 AND d1 < 3.1467)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
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 2.809(31.83) 100 3.108(28.70) 100 Calciocopiapite CaFe+++4(SO4)6(OH)2•19(H2O)
3.027(29.48) 100 2.192(41.15) 100 2.088(43.30) 80 Stumpflite Pt(Sb,Bi)
3.028(29.47) 100 2.050(44.14) 73 2.711(33.01) 66 Trembathite (Mg,Fe++)3B7O13Cl
3.028(29.47) 100 2.881(31.02) 100 3.189(27.96) 58 Rustumite Ca10(Si2O7)2(SiO4)Cl2(OH)2
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 3.560(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 3.760(23.64) 100 7.270(12.16) 100 Laplandite-(Ce) Na4CeTiPSi7O22•5(H2O)
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 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 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 3.360(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 4.370(20.30) 70 2.830(31.59) 70 Brockite (Ca,Th,Ce)(PO4)•(H2O)
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 2.960(30.17) 100 1.550(59.60) 60 Nioboaeschynite-(Ce) (Ce,Ca)(Nb,Ti)2(O,OH)6
3.030(29.45) 100 2.800(31.94) 70 2.470(36.34) 70 Billingsleyite Ag7AsS6
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 2.429(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 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 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 Chalcopyrite CuFeS2
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 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 2.311(38.94) 25 1.898(47.89) 16 Nitratine NaNO3
3.030(29.45) 100 2.290(39.31) 33 1.749(52.26) 30 Carlinite Tl2S
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 2.110(42.82) 70 2.940(30.38) 60 Krennerite AuTe2
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 2.110(42.82) 80 2.940(30.38) 50 Muthmannite AgAuTe2
3.030(29.45) 100 2.100(43.04) 90 2.930(30.48) 60 Kostovite CuAuTe4
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 1.854(49.10) 80 1.591(57.91) 60 Kharaelakhite (Pt,Cu,Pb,Fe,Ni)9S8
3.030(29.45) 100 2.470(36.34) 70 2.800(31.94) 70 Billingsleyite Ag7AsS6
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 2.960(30.17) 60 2.920(30.59) 50 Hedyphane Ca2Pb3(AsO4)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 3.230(27.59) 80 3.350(26.59) 80 Clinoferrosilite (Fe++,Mg)2Si2O6
3.030(29.45) 100 3.240(27.51) 80 1.865(48.79) 60 Lisiguangite CuPtBiS3
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 2.703(33.11) 68 3.211(27.76) 47 Fluorarrojadite-(BaNa) BaFe++Na2Ca(Fe++,Mn,Mg)13Al(PO4)11(PO3OH)(F,OH)2
3.032(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)
3.034(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 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
3.036(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)
3.037(29.39) 100 3.076(29.00) 90 3.561(24.98) 90 Reedmergnerite NaBSi3O8
3.037(29.39) 100 3.561(24.98) 90 3.076(29.00) 90 Reedmergnerite NaBSi3O8
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 2.543(35.26) 75 2.979(29.97) 75 Jervisite (Na,Ca,Fe++)(Sc,Mg,Fe++)Si2O6
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 2.979(29.97) 75 2.543(35.26) 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
3.039(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 1.840(49.50) 100 1.587(58.07) 100 Cesstibtantite (Cs,Na)SbTa4O12
3.040(29.36) 100 2.850(31.36) 100 2.020(44.83) 100 Marianoite Na2Ca4(Nb,Zr)2(Si2O7)2(O,F)4
3.040(29.36) 100 2.820(31.70) 80 2.140(42.19) 80 Grayite (Th,Pb,Ca)PO4•(H2O)
3.040(29.36) 100 4.360(20.35) 100 2.060(43.92) 100 Zemkorite (Na,K)2Ca(CO3)2
3.040(29.36) 100 1.870(48.65) 100 1.590(57.95) 50 Arsenosulvanite Cu3(As,V)S4
3.040(29.36) 100 2.060(43.92) 70 2.720(32.90) 60 Ericaite (Fe++,Mg,Mn)3B7O13Cl
3.040(29.36) 100 3.670(24.23) 100 2.458(36.53) 75 Peprossiite-(Ce) (Ce,La)(Al3O)2/3B4O10
3.040(29.36) 100 3.350(26.59) 89 5.410(16.37) 66 Studenitsite NaCa2[B9O14(OH)4]•2(H2O)
3.040(29.36) 100 3.180(28.04) 70 2.976(3-) 50 Oboyerite Pb6H6(Te++++O3)3(Te++++++O6)2•2(H2O)
3.040(29.36) 100 3.172(28.11) 65 6.180(14.32) 50 Parabariomicrolite BaTa4O10(OH)2•2H20
3.040(29.36) 100 3.170(28.13) 100 3.290(27.08) 70 Sarkinite Mn++2(AsO4)(OH)
3.040(29.36) 100 2.924(30.55) 83 7.625(11.60) 78 Mrazekite Bi+++2Cu++3(PO4)2O2(OH)2•2(H2O)
3.040(29.36) 100 2.720(32.90) 80 3.680(24.16) 70 Quenselite PbMn+++O2(OH)
3.040(29.36) 100 2.682(33.38) 90 2.713(32.99) 80 Collinsite Ca2(Mg,Fe++)(PO4)2•2(H2O)
3.040(29.36) 100 2.140(42.19) 80 2.820(31.70) 80 Grayite (Th,Pb,Ca)PO4•(H2O)
3.040(29.36) 100 2.096(43.12) 80 1.298(72.80) 70 Babkinite Pb2Bi2(S,Se)3
3.040(29.36) 100 4.290(20.69) 90 3.170(28.13) 80 Cornetite Cu3(PO4)(OH)3
3.041(29.35) 100 3.462(25.71) 66 3.086(28.91) 54 Newberyite Mg(PO3OH)•3(H2O)
3.042(29.34) 100 2.714(32.98) 85 3.222(27.66) 45 Arrojadite KNa4CaMn++4Fe++10Al(PO4)12(OH,F)2
3.043(29.33) 100 1.879(48.40) 90 1.598(57.64) 70 Talnakhite Cu9(Fe,Ni)8S16
3.044(29.32) 100 1.864(48.82) 38 2.637(33.97) 37 Avicennite Tl2O3
3.044(29.32) 100 3.470(25.65) 90 3.320(26.83) 70 Fransoletite H2Ca3Be2(PO4)4•4(H2O)
3.044(29.32) 100 6.090(14.53) 80 1.864(48.82) 70 Bariopyrochlore (Ba,Sr)(Nb,Ti)2(O,OH)7
3.045(29.31) 100 2.799(31.95) 100 3.093(28.84) 80 Clinokurchatovite Ca(Mg,Fe++,Mn)B2O5
3.045(29.31) 100 3.285(27.12) 90 4.990(17.76) 50 Tavorite LiFe+++(PO4)(OH)
3.045(29.31) 100 2.273(39.62) 52 6.830(12.95) 36 Yttrotungstite-(Ce) (Ce,Nd,Y)W2O6(OH)3
3.046(29.30) 100 1.855(49.07) 90 1.592(57.87) 70 Luzonite Cu3AsS4
3.046(29.30) 100 2.070(43.69) 90 2.160(41.78) 90 Nyerereite Na2Ca(CO3)2
3.046(29.30) 100 2.160(41.78) 90 2.070(43.69) 90 Nyerereite Na2Ca(CO3)2
3.046(29.30) 100 2.160(41.78) 90 2.540(35.31) 90 Nyerereite Na2Ca(CO3)2
3.048(29.28) 100 3.025(29.50) 43 2.573(34.84) 43 Johannsenite CaMnSi2O6

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