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 589 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.00762 AND d1 < 3.13038)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.008(29.67) 100 5.720(15.48) 90 3.373(26.40) 60 Deanesmithite Hg+2Hg++3Cr++++++O5S2
3.008(29.67) 100 1.763(51.81) 100 1.918(47.36) 80 Cobaltpentlandite Co9S8
3.009(29.66) 100 14.490(6.09) 90 4.815(18.41) 80 Kukisvumite Na6ZnTi4Si8O28•4(H2O)
3.009(29.66) 100 2.931(30.47) 69 2.970(30.06) 36 Nioboaeschynite-(Y) [(Y,REE),Ca,Th,Fe](Nb,Ti,Ta)2(O,OH)6
3.009(29.66) 100 2.685(33.34) 70 3.193(27.92) 41 Arrojadite-(SrFe) SrFe++Na2Ca(Fe++,Mn,Mg)13Al(PO4)11(PO3OH)(OH,F)2
3.010(29.65) 100 3.181(28.03) 51 2.678(33.43) 42 Arrojadite-(BaFe) (Ba,K,Pb)Na3(Ca,Sr)(Fe++,Mg,Mn)14Al(PO4)11(PO3OH)(OH,F)2
3.010(29.65) 100 5.800(15.26) 80 3.540(25.14) 70 Weilerite BaAl3H[(As,P)O4]2(OH)6
3.010(29.65) 100 2.776(32.22) 100 6.160(14.37) 100 Ungursaite NaCa5(Ta,Nb)24O65(OH)
3.010(29.65) 100 3.170(28.13) 60 2.754(32.48) 60 Mazzettiite Ag3HgPbSbTe5
3.010(29.65) 100 1.768(51.66) 100 2.500(35.89) 80 Florensovite Cu(Cr1.5Sb0.5)S4
3.010(29.65) 100 3.241(27.50) 70 3.373(26.40) 55 Brandtite Ca2(Mn,Mg)(AsO4)2•2(H2O)
3.010(29.65) 100 3.220(27.68) 100 2.610(34.33) 80 Parageorgbokiite Cu5O2(SeO3)2Cl2
3.010(29.65) 100 3.170(28.13) 60 3.650(24.37) 60 Mazzettiite Ag3HgPbSbTe5
3.010(29.65) 100 2.332(38.58) 100 2.134(42.32) 100 Nabiasite BaMn9[(V,As)O4]6(OH)2
3.010(29.65) 100 3.190(27.95) 90 2.913(30.67) 90 Lithiomarsturite LiCa2Mn2HSi5O15
3.010(29.65) 100 2.890(30.92) 60 2.850(31.36) 60 Niocalite Ca14Nb2(Si2O7)4O6F2
3.010(29.65) 100 2.600(34.47) 70 1.833(49.70) 70 Bismutostibiconite Bi(Sb+++++,Fe+++)2O7
3.010(29.65) 100 3.160(28.22) 70 2.817(31.74) 40 Gorgeyite K2Ca5(SO4)6•(H2O)
3.010(29.65) 100 3.140(28.40) 90 6.030(14.68) 80 Stibiomicrolite (Sb,Ca,Na)2(Ta,Nb)2(O,OH)7
3.010(29.65) 100 2.584(34.69) 55 3.830(23.20) 50 Taramellite Ba4(Fe+++,Ti,Fe++,Mg)4(B2Si8O27)O2Clx (x=0 to 1)
3.010(29.65) 100 1.970(46.03) 75 2.190(41.19) 70 Strontiochevkinite (Sr,REE)4Fe(Ti,Zr)2Ti2Si4O22
3.010(29.65) 100 2.710(33.03) 80 1.788(51.04) 30 Maslovite PtBiTe
3.010(29.65) 100 2.100(43.04) 60 1.771(51.56) 20 Cherepanovite RhAs
3.010(29.65) 100 1.850(49.21) 25 2.610(34.33) 18 Bindheimite Pb2Sb2O6(O,OH)
3.010(29.65) 100 1.844(49.38) 90 1.573(58.64) 80 Tantite Ta2O5
3.010(29.65) 100 1.840(49.50) 80 1.575(58.56) 60 Uranpyrochlore (U,Ca,Ce)2(Nb,Ta)2O6(OH,F)
3.010(29.65) 100 1.833(49.70) 70 2.600(34.47) 70 Bismutostibiconite Bi(Sb+++++,Fe+++)2O7
3.010(29.65) 100 2.754(32.48) 60 3.170(28.13) 60 Mazzettiite Ag3HgPbSbTe5
3.010(29.65) 100 2.980(29.96) 90 6.310(14.02) 80 Baylissite K2Mg(CO3)2•4(H2O)
3.010(29.65) 100 2.913(30.67) 90 3.190(27.95) 90 Lithiomarsturite LiCa2Mn2HSi5O15
3.010(29.65) 100 2.850(31.36) 60 2.890(30.92) 60 Niocalite Ca14Nb2(Si2O7)4O6F2
3.010(29.65) 100 2.584(34.69) 55 3.830(23.20) 50 Titantaramellite Ba4(Ti,Fe+++,Fe++,Mg)4(B2Si8O27)O2Clx X=0 TO 1, with Ti > Fe
3.011(29.64) 100 3.372(26.41) 77 2.750(32.53) 62 Brendelite (Bi,Pb)2Fe(PO4)(O,OH)3
3.011(29.64) 100 2.456(36.56) 80 2.547(35.21) 80 Nchwaningite Mn++2SiO3(OH)2•(H2O)
3.011(29.64) 100 2.946(30.31) 100 2.814(31.77) 90 Sahlinite Pb14(AsO4)2O9Cl4
3.011(29.64) 100 2.547(35.21) 80 2.456(36.56) 80 Nchwaningite Mn++2SiO3(OH)2•(H2O)
3.011(29.64) 100 10.150(8.70) 88 3.319(26.84) 75 Cerchiaraite Ba4(Mn,Fe,Al)4Si6(O,OH,Cl)26
3.012(29.63) 100 2.965(30.12) 80 3.945(22.52) 60 Perroudite Hg5-xAg4+xS5-x(Cl,I,Br)4+x
3.012(29.63) 100 2.693(33.24) 100 2.372(37.90) 80 Staurolite (Fe++,Mg)2Al9(Si,Al)4O20(O,OH)4
3.014(29.61) 100 2.820(31.70) 65 3.019(29.56) 51 Omongwaite Na2Ca5(SO4)6•3H2O
3.014(29.61) 100 2.827(31.62) 100 1.854(49.10) 100 Saryarkite-(Y) Ca(Y,Th)Al5(SiO4)2(PO4,SO4)2(OH)7•6(H2O)
3.014(29.61) 100 3.150(28.31) 19 2.784(32.12) 18 Riversideite Ca5Si6O16(OH)2•2(H2O)
3.015(29.60) 100 3.234(27.56) 100 3.338(26.68) 100 Olsacherite Pb2(SeO4)(SO4)
3.015(29.60) 100 3.338(26.68) 100 3.234(27.56) 100 Olsacherite Pb2(SeO4)(SO4)
3.015(29.60) 100 1.846(49.32) 59 1.574(58.60) 47 Fluornatromicrolite (Na,Ca,Bi)2Ta2O6F
3.015(29.60) 100 3.860(23.02) 35 2.656(33.72) 35 Norsethite BaMg(CO3)2
3.015(29.60) 100 2.656(33.72) 35 3.860(23.02) 35 Norsethite BaMg(CO3)2
3.015(29.60) 100 5.720(15.48) 95 3.800(23.39) 72 Cobaltomenite CoSeO3•2(H2O)
3.016(29.59) 100 3.811(23.32) 78 3.315(26.87) 48 Krieselite (Al,Ga)2(Ge,C)O4 (OH)2
3.017(29.58) 100 2.534(35.39) 75 7.620(11.60) 45 Esperite PbCa3Zn4(SiO4)4
3.018(29.57) 100 2.920(30.59) 83 2.882(31.00) 52 Dmitryivanovite CaAl2O4
3.018(29.57) 100 3.574(24.89) 75 5.580(15.87) 70 Namibite Cu++Bi2(VO4)O2
3.019(29.56) 100 2.698(33.18) 55 3.208(27.79) 43 Arrojadite-(PbFe) PbFe++Na2Ca(Fe++,Mn,Mg)13Al(PO4)11(PO3OH)(OH,F)2
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 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 2.610(34.33) 70 1.850(49.21) 70 Stetefeldtite Ag2Sb2O6(O,OH)
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 2.810(31.82) 80 2.130(42.40) 80 Ningyoite (U,Ca,Ce)2(PO4)2•1-2(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 2.400(37.44) 100 1.945(46.66) 100 Chvilevaite Na(Cu,Fe,Zn)2S2
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 2.856(31.29) 100 10.110(8.74) 85 Iquiqueite K3Na4Mg(Cr++++++O4)B24O39(OH)•12(H2O)
3.020(29.55) 100 2.630(34.06) 100 3.190(27.95) 100 Isokite CaMg(PO4)F
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 1.506(61.52) 60 2.810(31.82) 60 Nagyagite AuPb(Sb,Bi)Te2-3S6
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 3.550(25.06) 80 5.840(15.16) 80 Arsenogorceixite BaAl3AsO3(OH)(AsO4,PO4)(OH,F)6
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 2.991(29.85) 80 3.204(27.82) 55 Scawtite Ca7Si6(CO3)O18•2(H2O)
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 2.778(32.20) 90 1.556(59.34) 80 Natrotantite Na2Ta4O11
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 2.130(42.40) 80 2.810(31.82) 80 Ningyoite (U,Ca,Ce)2(PO4)2•1-2(H2O)
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 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 1.581(58.31) 90 1.861(48.90) 90 Plumbopyrochlore (Pb,Y,U,Ca)2-xNb2O6(OH)
3.020(29.55) 100 5.910(14.98) 90 2.870(31.14) 80 Umbite K2ZrSi3O9•(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 2.809(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 2.881(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 3.082(28.95) 90 2.780(32.17) 90 Irtyshite Na2(Ta,Nb)4O11
3.029(29.46) 100 2.780(32.17) 90 3.082(28.95) 90 Irtyshite Na2(Ta,Nb)4O11
3.030(29.45) 100 1.854(49.10) 80 1.591(57.91) 60 Chalcopyrite CuFeS2
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 1.549(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 1.510(61.34) 80 1.918(47.36) 70 Cooperite (Pt,Pd,Ni)S
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 3.240(27.51) 80 1.865(48.79) 60 Lisiguangite CuPtBiS3
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 1.858(48.99) 90 2.628(34.09) 80 Natrobistantite (Na,Cs)Bi(Ta,Nb,Sb)4O12

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