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 237 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.37218 AND d1 < 3.50982)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.376(26.38) 100 3.203(27.83) 80 2.584(34.69) 70 Lucasite-(Ce) CeTi2(O,OH)6
3.376(26.38) 100 3.386(26.30) 100 8.583(10.30) 100 Sekaninaite (Fe++,Mg)2Al4Si5O18
3.376(26.38) 100 8.583(10.30) 100 3.386(26.30) 100 Sekaninaite (Fe++,Mg)2Al4Si5O18
3.380(26.35) 100 3.000(29.76) 30 2.793(32.02) 30 Thadeuite (Ca,Mn++)(Mg,Fe++,Mn+++)3(PO4)2(OH,F)2
3.380(26.35) 100 3.780(23.52) 70 2.840(31.47) 70 Dadsonite Pb21Sb23S55Cl
3.380(26.35) 100 7.320(12.08) 90 5.220(16.97) 90 Steacyite K1-x(Ca,Na)2ThSi8O20 (x=0.2 to 0.4)
3.380(26.35) 100 2.190(41.19) 80 1.512(61.25) 80 Boromullite Al4.5SiB0.5O9.5
3.380(26.35) 100 2.979(29.97) 100 6.430(13.76) 50 Phoenicochroite Pb2(CrO4)O
3.380(26.35) 100 2.920(30.59) 100 3.020(29.55) 80 Barylite BaBe2Si2O7
3.380(26.35) 100 2.000(45.30) 100 3.400(26.19) 100 Ardaite Pb19Sb13S35Cl7
3.380(26.35) 100 8.480(10.42) 80 3.150(28.31) 70 Sadanagaite (K,Na)Ca2(Fe++,Mg,Al,Ti)5[(Si,Al)8O22](OH)2
3.380(26.35) 100 5.600(15.81) 100 6.800(13.01) 60 Minyulite KAl2(PO4)2(OH,F)•4(H2O)
3.380(26.35) 100 5.220(16.97) 90 7.320(12.08) 90 Steacyite K1-x(Ca,Na)2ThSi8O20 (x=0.2 to 0.4)
3.380(26.35) 100 1.512(61.25) 80 2.190(41.19) 80 Boromullite Al4.5SiB0.5O9.5
3.380(26.35) 100 2.068(43.74) 55 1.764(51.78) 45 Metacinnabar HgS
3.380(26.35) 100 2.177(41.44) 90 2.073(43.63) 80 Xilingolite Pb3Bi2S6
3.380(26.35) 100 2.548(35.19) 90 10.100(8.75) 80 Magnesioastrophyllite K2Na[Na(Fe++,Fe+++,Mn)Mg2]Ti2Si8O26(OH)4F
3.380(26.35) 100 2.793(32.02) 30 3.000(29.76) 30 Thadeuite (Ca,Mn++)(Mg,Fe++,Mn+++)3(PO4)2(OH,F)2
3.380(26.35) 100 2.840(31.47) 70 3.780(23.52) 70 Dadsonite Pb21Sb23S55Cl
3.380(26.35) 100 2.903(30.77) 50 2.787(32.09) 45 Minium Pb++2Pb++++O4
3.380(26.35) 100 3.520(25.28) 100 2.070(43.69) 60 Lausenite Fe+++2(SO4)3•6(H2O)
3.382(26.33) 100 1.701(53.85) 70 7.650(11.56) 50 Dukeite Bi+++24Cr++++++8O57(OH)6(H2O)3
3.382(26.33) 100 2.681(33.39) 70 1.701(53.85) 50 Dukeite Bi+++24Cr++++++8O57(OH)6(H2O)3
3.385(26.31) 100 3.315(26.87) 78 2.939(30.39) 47 Wilhelmkleinite ZnFe+++3(AsO4)2(OH)2
3.386(26.30) 100 1.955(46.41) 34 2.623(34.15) 12 Helvite Mn4Be3(SiO4)3S
3.386(26.30) 100 3.376(26.38) 100 8.583(10.30) 100 Sekaninaite (Fe++,Mg)2Al4Si5O18
3.386(26.30) 100 2.553(35.12) 90 2.921(30.58) 80 Souzalite (Mg,Fe++)3(Al,Fe+++)4(PO4)4(OH)6•2(H2O)
3.387(26.29) 100 2.166(41.66) 100 1.925(47.17) 80 Stenonite (Sr,Ba,Na)2Al(CO3)F5
3.390(26.27) 100 2.649(33.81) 50 4.350(20.40) 35 Paramontroseite VO2
3.390(26.27) 50 1.370(68.42) 100 1.380(67.86) 100 Lutecite SiO2
3.390(26.27) 100 4.040(21.98) 80 3.920(22.66) 80 Robinsonite Pb4Sb6S13
3.390(26.27) 100 3.428(25.97) 95 2.206(40.87) 60 Mullite Al(4+2x)Si(2-2x)O(10-x) where x =0.17 to 0.59
3.390(26.27) 100 4.410(20.12) 70 3.220(27.68) 70 Gillespite BaFe++Si4O10
3.390(26.27) 50 1.380(67.86) 100 1.370(68.42) 100 Lutecite SiO2
3.390(26.27) 100 3.320(26.83) 100 2.785(32.11) 70 Playfairite Pb16Sb18S43
3.390(26.27) 100 2.875(31.08) 100 2.131(42.38) 100 Crichtonite (Sr,La,Ce,Y)(Ti,Fe+++,Mn)21O38
3.390(26.27) 100 2.866(31.18) 80 2.652(33.77) 70 Francisite Cu3Bi(SeO3)2O2Cl
3.390(26.27) 100 3.220(27.68) 70 4.410(20.12) 70 Gillespite BaFe++Si4O10
3.390(26.27) 100 3.540(25.14) 67 5.530(16.01) 48 Zincovoltaite K2Zn5Fe+++3Al(SO4)12•18(H2O)
3.390(26.27) 100 3.920(22.66) 80 4.040(21.98) 80 Robinsonite Pb4Sb6S13
3.390(26.27) 100 4.320(20.54) 57 3.130(28.49) 50 Jarandolite Ca[B3O4(OH)3]
3.390(26.27) 100 3.410(26.11) 85 2.310(38.96) 40 Ferruccite NaBF4
3.390(26.27) 50 1.380(67.86) 100 1.830(49.79) 100 Lutecite SiO2
3.392(26.25) 100 3.114(28.64) 90 2.084(43.38) 33 Joelbruggerite Pb3Zn3Sb+++++As2O13(OH)
3.392(26.25) 100 3.210(27.77) 82 2.230(40.41) 69 Vistepite Mn++4Sn++++B2(SiO4)4(OH)2
3.393(26.24) 100 3.120(28.59) 85 3.188(27.96) 65 Vonbezingite Ca6Cu3(SO4)3(OH)12•2(H2O)
3.393(26.24) 100 2.724(32.85) 70 8.137(10.86) 60 Humberstonite K3Na7Mg2(SO4)6(NO3)2•6(H2O)
3.395(26.23) 100 2.554(35.11) 90 2.925(30.54) 80 Gormanite Fe++3Al4(PO4)4(OH)6•2(H2O)
3.395(26.23) 100 2.819(31.72) 53 2.739(32.67) 48 Tsugaruite Pb4As2S7
3.396(26.22) 100 1.977(45.86) 65 3.273(27.22) 52 Aragonite CaCO3
3.396(26.22) 100 2.848(31.38) 31 2.078(43.52) 29 Pertlikite K2(Fe++,Mg)2(Mg,Fe+++)4Fe+++2Al(SO4)12•18H2O
3.396(26.22) 100 3.355(26.55) 90 2.720(32.90) 80 Madocite Pb17(Sb,As)16S41
3.398(26.20) 100 3.175(28.08) 100 2.938(30.40) 100 Ferrilotharmeyerite Ca(Zn,Cu++)(Fe+++,Zn)(AsO4)2(OH,H2O)2
3.399(26.20) 100 3.892(22.83) 70 2.962(30.15) 50 Macfallite Ca2(Mn+++,Al)3(SiO4)(Si2O7)(OH)3
3.400(26.19) 100 3.860(23.02) 98 2.910(30.70) 74 Armenite BaCa2Al6Si9O30•2(H2O)
3.400(26.19) 100 4.900(18.09) 90 3.680(24.16) 80 Dashkovaite Mg(HCOO)2•2(H2O)
3.400(26.19) 100 5.540(15.98) 90 2.859(31.26) 80 Formicaite Ca(HCOO)2
3.400(26.19) 100 2.080(43.47) 40 1.570(58.76) 40 Monsmedite H8K2Tl2(SO4)8•11(H2O)
3.400(26.19) 100 3.090(28.87) 100 2.990(29.86) 100 Epididymite NaBeSi3O7(OH)
3.400(26.19) 100 5.310(16.68) 70 2.654(33.74) 59 Turkestanite Th(Ca,Na)2(K1-x,[ ]x)Si8O20•n(H2O)
3.400(26.19) 100 2.080(43.47) 40 2.320(38.78) 40 Monsmedite H8K2Tl2(SO4)8•11(H2O)
3.400(26.19) 100 3.520(25.28) 80 2.710(33.03) 70 Tintinaite Pb22Cu+4(Sb,Bi)30S69
3.400(26.19) 100 3.040(29.36) 90 9.670(9.14) 80 Jamesite Pb2Zn2Fe+++5(AsO4)5O4
3.400(26.19) 100 2.840(31.47) 90 1.740(52.55) 60 Hallimondite Pb2(UO2)(AsO4)2
3.400(26.19) 100 1.570(58.76) 40 2.080(43.47) 40 Monsmedite H8K2Tl2(SO4)8•11(H2O)
3.400(26.19) 100 2.558(35.05) 60 2.050(44.14) 50 Kuranakhite PbMn++++Te++++++O6
3.400(26.19) 100 3.380(26.35) 100 2.000(45.30) 100 Ardaite Pb19Sb13S35Cl7
3.400(26.19) 100 2.640(33.93) 60 2.280(39.49) 50 Manganite MnO(OH)
3.400(26.19) 100 2.800(31.94) 80 4.160(21.34) 50 Jagoite (Pb,Na,Ca)3(Fe+++,Mg)Si3O10(Cl,OH)
3.400(26.19) 100 1.750(52.23) 90 2.060(43.92) 80 Vikingite Ag5Pb8Bi13S30
3.402(26.17) 100 3.369(26.43) 74 2.815(31.76) 70 Rouxelite Cu2HgPb22Sb28S64(O,S)2
3.405(26.15) 100 3.062(29.14) 56 2.513(35.70) 49 Cobaltkieserite CoSO4•H2O
3.406(26.14) 100 3.050(29.26) 100 4.000(22.21) 100 Calciouranoite (Ca,Ba,Pb)U2O7•5(H2O)
3.409(26.12) 100 4.840(18.31) 90 3.331(26.74) 90 Kieserite MgSO4•(H2O)
3.409(26.12) 100 3.331(26.74) 90 4.840(18.31) 90 Kieserite MgSO4•(H2O)
3.410(26.11) 100 2.270(39.67) 50 6.830(12.95) 40 Cerotungstite-(Ce) (Ce,REE)W2O6(OH)3
3.410(26.11) 100 1.750(52.23) 70 2.040(44.37) 70 Usovite Ba2CaMgAl2F14
3.410(26.11) 100 2.040(44.37) 70 1.750(52.23) 70 Usovite Ba2CaMgAl2F14
3.410(26.11) 100 5.570(15.90) 90 2.900(30.81) 80 Wairakite CaAl2Si4O12•2(H2O)
3.410(26.11) 40 2.520(35.60) 40 9.970(8.86) 40 Montdorite (K,Na)(Fe++,Mn++,Mg)2.5[Si4O10](F,OH)2
3.410(26.11) 100 2.090(43.25) 40 2.850(31.36) 30 Heyrovskyite Pb10AgBi5S18
3.410(26.11) 100 3.260(27.33) 80 3.060(29.16) 75 Avogadrite (K,Cs)BF4
3.410(26.11) 100 2.850(31.36) 40 2.940(30.38) 30 Heyrovskyite Pb10AgBi5S18
3.411(26.10) 100 3.252(27.40) 83 5.260(16.84) 68 Sazhinite-(La) Na3La[Si6O15]•2(H2O)
3.412(26.09) 100 2.721(32.89) 60 2.031(44.58) 60 Sakharovaite (Pb,Fe)(Bi,Sb)2S4
3.412(26.09) 100 2.031(44.58) 60 2.721(32.89) 60 Sakharovaite (Pb,Fe)(Bi,Sb)2S4
3.414(26.08) 100 10.130(8.72) 100 3.198(27.87) 80 Sidpietersite Pb++4(S++++++O3S--)O2(OH)2
3.414(26.08) 100 2.014(44.97) 80 2.893(30.88) 70 Eclarite Pb9(Cu,Fe)Bi12S28
3.416(26.06) 100 2.927(30.52) 64 3.186(27.98) 40 Lukrahnite Ca(Cu,Zn)(Fe,Zn)(AsO4)2(OH,H2O)2
3.418(26.05) 100 2.763(32.38) 95 2.358(38.13) 73 Leningradite PbCu++3(VO4)2Cl2
3.420(26.03) 100 1.903(47.75) 80 2.455(36.57) 70 Brannerite (U,Ca,Ce)(Ti,Fe)2O6
3.420(26.03) 100 3.370(26.43) 65 2.200(40.99) 60 Sillimanite Al2SiO5 = Al[6]Al[4]OSiO4
3.420(26.03) 100 4.770(18.59) 55 3.070(29.06) 45 Gunningite (Zn,Mn)SO4•(H2O)
3.421(26.02) 100 2.907(30.73) 100 3.652(24.35) 80 Pollucite (Cs,Na)2Al2Si4O12•(H2O)
3.423(26.01) 100 4.020(22.09) 38 3.562(24.98) 31 Pellouxite (Cu,Ag)Pb10Sb12S27(Cl,S)0.6O
3.424(26.00) 100 5.085(17.43) 64 3.405(26.15) 27 IMA2008-022 UO2(OH)2
3.426(25.99) 100 3.289(27.09) 100 4.037(22.00) 90 Eztlite Pb2Fe+++6(Te++++O3)3(Te++++++O6)(OH)10•8(H2O)
3.426(25.99) 100 3.378(26.36) 88 2.941(30.37) 54 Aschamalmite Pb6Bi2S9
3.427(25.98) 100 3.042(29.34) 80 3.312(26.90) 80 Izoklakeite Pb27(Cu,Fe)2(Sb,Bi)19S57
3.427(25.98) 100 3.312(26.90) 80 3.042(29.34) 80 Izoklakeite Pb27(Cu,Fe)2(Sb,Bi)19S57

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