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 82 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 8.182902 AND d1 < 8.516898)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
8.190(10.79) 100 2.409(37.30) 30 3.720(23.90) 20 Sabieite (NH4)Fe+++(SO4)2
8.190(10.79) 100 3.005(29.71) 100 4.100(21.66) 80 Curienite Pb(UO2)2V2O8•5(H2O)
8.199(10.78) 100 5.502(16.10) 100 2.883(30.99) 80 Bobkingite Cu5Cl2(OH)8(H2O)2
8.200(10.78) 100 3.190(27.95) 45 9.200(9.61) 25 Gowerite CaB6O10•5(H2O)
8.200(10.78) 100 7.400(11.95) 70 2.730(32.78) 60 Hummerite KMgV+++++5O14•8(H2O)
8.210(10.77) 100 4.200(21.14) 90 5.690(15.56) 20 Mpororoite Al(WO3)(OH)3•2(H2O)
8.210(10.77) 100 3.080(28.97) 90 4.200(21.14) 20 Mpororoite Al(WO3)(OH)3•2(H2O)
8.224(10.75) 100 2.717(32.94) 69 3.042(29.34) 54 Ferri-clinoferroholmquistite [ ]Li2(Fe+++2Fe++3)Si8O22(OH)2
8.230(10.74) 100 3.090(28.87) 100 3.220(27.68) 80 Marthozite Cu[(UO2)3(SeO3)2O2]•8(H2O)
8.230(10.74) 100 3.040(29.36) 70 3.220(27.68) 20 Ferrogedrite [ ]Fe++5Al2Si6Al2O22(OH)2
8.240(10.73) 100 4.370(20.30) 80 7.790(11.35) 80 Rabbittite Ca3Mg3(UO2)2(CO3)6(OH)4•18(H2O)
8.240(10.73) 100 7.830(11.29) 94 4.662(19.02) 61 Mapimite Zn2Fe+++3(AsO4)3(OH)4•10(H2O)
8.240(10.73) 100 7.790(11.35) 80 4.370(20.30) 80 Rabbittite Ca3Mg3(UO2)2(CO3)6(OH)4•18(H2O)
8.241(10.73) 100 2.714(32.98) 72 3.050(29.26) 60 Sodic-ferri-ferropedrizite NaLi2(Fe+++2Fe++3)Si8O22(OH)2
8.256(10.71) 100 2.709(33.04) 81 2.501(35.88) 68 Ferri-ottoliniite [ ](Na,Li)(Mg3Fe+++2)Si8O22(OH)2
8.260(10.70) 100 2.759(32.42) 75 5.450(16.25) 65 Coquimbite Fe+++2(SO4)3•9(H2O)
8.260(10.70) 100 2.760(32.41) 75 5.450(16.25) 65 Paracoquimbite Fe+++2(SO4)3•9(H2O)
8.270(10.69) 100 3.240(27.51) 100 2.430(36.96) 100 Calclacite Ca[Cl2/CH3COO]•10(H2O)
8.283(10.67) 100 4.878(18.17) 35 6.169(14.35) 29 IMA2008-047 Cd3Zn2(AsO3OH)2(AsO4)24?H2O
8.283(10.67) 100 8.985(9.84) 35 4.878(18.17) 29 IMA2008-047 Cd3Zn2(AsO3OH)2(AsO4)24?H2O
8.290(10.66) 100 3.339(26.68) 90 2.884(30.98) 80 Penkvilksite Na4(Ti++++,Zr)2[Si8O22]•4(H2O)
8.310(10.64) 100 3.080(28.97) 70 2.710(33.03) 40 Crossite Na2(Mg,Fe++)3(Al,Fe+++)2Si8O22(OH)2
8.310(10.64) 100 6.470(13.68) 100 4.970(17.83) 25 Meyerhofferite Ca2B6O6(OH)10•2(H2O)
8.326(10.62) 100 2.784(32.12) 80 2.979(29.97) 80 Artsmithite Hg+4Al(PO4)1.74(OH)1.78
8.326(10.62) 100 2.979(29.97) 80 2.784(32.12) 80 Artsmithite Hg+4Al(PO4)1.74(OH)1.78
8.330(10.61) 100 3.060(29.16) 70 2.756(32.46) 70 Cummingtonite [ ]Mg7Si8O22(OH)2
8.330(10.61) 100 2.756(32.46) 70 3.060(29.16) 70 Cummingtonite [ ]Mg7Si8O22(OH)2
8.330(10.61) 100 2.770(32.29) 90 3.070(29.06) 80 Grunerite [ ]Fe++7Si8O22(OH)2
8.350(10.59) 100 3.151(28.30) 76 2.830(31.59) 53 Fluoro-potassichastingsite KCa2(Fe++2,Mg2,Fe+++)S5(Si6Al2)8O22F2
8.350(10.59) 100 9.910(8.92) 60 7.720(11.45) 50 Kaatialaite Fe+++[H2As+++++O4]3•5-5.5(H2O)
8.352(10.58) 100 2.703(33.11) 92 3.098(28.79) 68 Aluminotaramite Na(CaNa)(Fe+++3Al2)(Si6Al2)O22(OH)2
8.353(10.58) 100 4.171(21.28) 100 2.903(30.77) 90 Carletonite KNa4Ca4Si8O18(CO3)4(OH,F)•(H2O)
8.353(10.58) 100 2.560(35.02) 92 3.074(29.02) 64 Protoferro-anthophyllite (Fe++,Mn++)2(Fe++,Mg)5(Si4O11)2(OH)2
8.360(10.57) 100 2.760(32.41) 90 3.280(27.16) 40 Manganogrunerite [ ]Mn2Fe++5Si8O22(OH)
8.360(10.57) 100 3.090(28.87) 90 2.760(32.41) 40 Manganogrunerite [ ]Mn2Fe++5Si8O22(OH)
8.380(10.55) 100 2.340(38.44) 90 2.700(33.15) 80 Magnesiosadanagaite NaCa2[Mg3(Al,Fe+++)2]Si5AlO22(OH)2
8.380(10.55) 100 2.560(35.02) 90 2.340(38.44) 80 Magnesiosadanagaite NaCa2[Mg3(Al,Fe+++)2]Si5AlO22(OH)2
8.380(10.55) 100 3.120(28.59) 100 2.710(33.03) 90 Tremolite [ ]Ca2Mg5Si8O22(OH)2
8.380(10.55) 100 3.120(28.59) 100 2.710(33.03) 90 Actinolite Ca2(Mg,Fe++)5Si8O22(OH)2
8.390(10.54) 100 7.290(12.13) 100 3.550(25.06) 80 Guilleminite Ba(UO2)3(SeO3)2O2•3(H2O)
8.390(10.54) 100 5.960(14.85) 80 4.180(21.24) 70 Vanmeersscheite U++++++(UO2)3(PO4)2(OH)6•4(H2O)
8.400(10.52) 100 2.902(30.79) 90 2.691(33.27) 90 Tumchaite Na2(Zr,Sn)Si4O11•2(H2O)
8.400(10.52) 100 2.560(35.02) 50 3.110(28.68) 30 Ferrotschermakite [ ]Ca2(Fe++3AlFe+++)Si6Al2O22(OH)
8.400(10.52) 100 2.902(30.79) 90 3.401(26.18) 90 Tumchaite Na2(Zr,Sn)Si4O11•2(H2O)
8.400(10.52) 100 4.180(21.24) 80 3.430(25.96) 80 Upalite Al(UO2)3(PO4)2O(OH)•7(H2O)
8.400(10.52) 100 2.996(29.80) 100 5.200(17.04) 60 Francevillite (Ba,Pb)(UO2)2V2O8•5(H2O)
8.400(10.52) 100 11.200(7.89) 90 4.660(19.03) 90 Lazarenkoite CaFe++As+++3O7•3(H2O)
8.400(10.52) 100 4.660(19.03) 90 11.200(7.89) 90 Lazarenkoite CaFe++As+++3O7•3(H2O)
8.400(10.52) 100 3.430(25.96) 80 4.180(21.24) 80 Upalite Al(UO2)3(PO4)2O(OH)•7(H2O)
8.400(10.52) 100 2.720(32.90) 50 2.560(35.02) 30 Ferrotschermakite [ ]Ca2(Fe++3AlFe+++)Si6Al2O22(OH)
8.400(10.52) 100 2.691(33.27) 90 2.902(30.79) 90 Tumchaite Na2(Zr,Sn)Si4O11•2(H2O)
8.414(10.51) 100 2.705(33.09) 70 3.390(26.27) 60 Obertiite NaNa2(Mg3Fe+++Ti)Si8O22(O,F,OH)2
8.420(10.50) 100 2.720(32.90) 100 3.090(28.87) 80 Riebeckite [ ]Na2(Fe++3Fe+++2)Si8O22(OH)2
8.420(10.50) 100 4.190(21.19) 80 3.270(27.25) 70 Sklodowskite (H3O)2Mg(UO2)2(SiO4)2•4(H2O)
8.420(10.50) 100 8.670(10.19) 100 3.220(27.68) 60 Wavellite Al3(PO4)2(OH,F)3•5(H2O)
8.420(10.50) 100 3.630(24.50) 90 3.270(27.25) 80 Natrouranospinite (Na2,Ca)(UO2)2(AsO4)2•5(H2O)
8.420(10.50) 100 3.116(28.62) 60 2.711(33.01) 20 Ferriwinchite ([ ],Na)(Na,Ca)2(Mg, Fe++)4Fe+++[Si8O22](OH)2
8.420(10.50) 100 2.714(32.98) 75 2.565(34.95) 60 IMA2007-015 K(CaNa)(Fe++3Al2)(Si6Al2)O22(OH)2
8.420(10.50) 100 4.210(21.08) 64 4.320(20.54) 21 Guanacoite (Cu,Mg)2Mg2(Mg,Cu)(OH)4(H2O)4(AsO4)2
8.430(10.49) 100 3.130(28.49) 70 2.710(33.03) 60 Hastingsite NaCa2(Fe++4Fe+++)Si6Al2O22(OH)2
8.432(10.48) 100 3.162(28.20) 66 2.385(37.69) 27 Brumadoite Cu3(TeO4)(OH)4•5H2O
8.440(10.47) 100 3.130(28.49) 80 2.345(38.35) 41 Fluoropargasite NaCa2(Mg3Fe++Al)5(Si6Al2O22)F2
8.440(10.47) 100 2.345(38.35) 80 3.280(27.16) 41 Fluoropargasite NaCa2(Mg3Fe++Al)5(Si6Al2O22)F2
8.440(10.47) 100 2.816(31.75) 47 2.544(35.25) 45 Euchlorine KNaCu++3(SO4)3O
8.450(10.46) 100 3.120(28.59) 90 2.890(30.92) 60 Magnesioriebeckite [ ]Na2[(Mg,Fe++)3Fe+++2]Si8O22(OH)2
8.460(10.45) 100 3.470(25.65) 20 4.220(21.03) 18 Wyartite Ca3U++++(UO2)6(CO3)2(OH)18•3-5(H2O)
8.470(10.44) 100 3.790(23.45) 30 2.990(29.86) 20 Koninckite Fe+++PO4•3(H2O) (?)
8.470(10.44) 100 2.990(29.86) 30 3.850(23.08) 20 Koninckite Fe+++PO4•3(H2O) (?)
8.470(10.44) 100 3.610(24.64) 85 2.110(42.82) 70 Meta-autunite Ca(UO2)2(PO4)2•2-6(H2O)
8.470(10.44) 100 3.255(27.38) 73 4.746(18.68) 65 Lanthanite-(Ce) (Ce,La)2(CO3)3•8(H2O)
8.474(10.43) 100 6.005(14.74) 24 3.605(24.68) 9 Hydrochlorborite Ca2B4O4(OH)7Cl•7(H2O)
8.480(10.42) 100 2.714(32.98) 52 3.284(27.13) 40 Potassic-magnesiohastingsite (K,Na)Ca2(Mg,Fe++,Fe+++,Al)5(Si,Al)8O22(OH,Cl)2
8.480(10.42) 100 4.096(21.68) 55 3.037(29.39) 55 Indialite Mg2Al4Si5O18
8.480(10.42) 100 3.037(29.39) 55 4.096(21.68) 55 Indialite Mg2Al4Si5O18
8.490(10.41) 100 6.010(14.73) 90 3.073(29.03) 70 Metavanmeersscheite U++++++(UO2)3(PO4)2(OH)6•2(H2O)
8.500(10.40) 100 3.252(27.40) 63 3.038(29.38) 58 Lanthanite-(Nd) (Nd,La)2(CO3)3•8(H2O)
8.500(10.40) 100 2.354(38.20) 40 4.248(20.89) 33 Zincowoodwardite-3R [Zn1BxAlx(OH)2][(SO4)x/2•n(H2O)], 0.32 < x < 0.50, n = 0.59
8.500(10.40) 100 3.150(28.31) 80 2.718(32.93) 60 Ferropargasite NaCa2(Fe++4Al)Si6Al2O22(OH)2
8.500(10.40) 100 4.250(20.88) 91 4.180(21.24) 23 Chalcoalumite CuAl4(SO4)(OH)12•3(H2O)
8.510(10.39) 100 2.620(34.20) 25 3.140(28.40) 18 Simplotite CaV++++4O9•5(H2O)
8.510(10.39) 100 4.220(21.03) 80 3.260(27.33) 60 Metatyuyamunite Ca(UO2)2V2O8•3(H2O)
8.512(10.38) 100 3.153(28.28) 67 2.827(31.62) 31 Kozulite NaNa2Mn++4(Fe+++,Al)Si8O22(OH)2

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