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 141 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.53486 AND d1 < 3.67914)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.535(25.17) 100 3.450(25.80) 70 2.053(44.07) 50 Strontianite SrCO3
3.537(25.16) 100 4.695(18.89) 90 2.653(33.76) 60 Thorogummite Th(SiO4)1-x(OH)4x
3.537(25.16) 100 3.781(23.51) 65 9.510(9.29) 50 Ferrierite-Na (Na,K)2Mg(Si,Al)18O36•9(H2O)
3.537(25.16) 100 3.781(23.51) 65 9.510(9.29) 50 Ferrierite-K (K,Na)2Mg(Si,Al)18O36•9(H2O)
3.537(25.16) 100 3.781(23.51) 65 9.510(9.29) 50 Ferrierite-Mg (Mg,Na,K)2Mg(Si,Al)18O36•9(H2O)
3.537(25.16) 100 3.056(29.20) 97 2.890(30.92) 96 Geocronite Pb14(Sb,As)6S23
3.539(25.14) 100 2.606(34.38) 80 2.080(43.47) 50 Santanaite Pb++9Pb++++2CrO16
3.539(25.14) 100 2.913(30.67) 100 3.767(23.60) 90 Neustadtelite Bi2Fe+++(Fe+++,Co)(O,OH)2(OH)2(AsO4)2
3.540(25.14) 100 6.480(13.65) 80 4.240(20.93) 70 Nealite-(H2O) Pb4Fe++(As+++O3)2Cl4•2(H2O)
3.540(25.14) 100 3.660(24.30) 100 4.000(22.21) 90 Nuffieldite Pb2Cu(Pb,Bi)Bi2S7
3.540(25.14) 100 3.410(26.11) 90 5.570(15.90) 70 Voltaite K2Fe++5Fe+++3Al(SO4)12•18(H2O)
3.540(25.14) 100 3.410(26.11) 90 2.720(32.90) 50 Kobellite Pb22Cu4(Bi,Sb)30S69
3.540(25.14) 75 2.653(33.76) 70 3.060(29.16) 55 Ellenbergerite Mg6TiAl6Si8O28(OH)10
3.540(25.14) 100 2.600(34.47) 90 1.892(48.05) 80 Montanite Bi2Te++++++O6•2(H2O)
3.542(25.12) 100 3.204(27.82) 100 1.873(48.57) 75 Dachiardite-Ca (Ca,Na2,K2)5Al10Si38O96•25(H2O)
3.542(25.12) 100 6.480(13.65) 80 4.237(20.95) 70 Nealite Pb4Fe++(As+++++O4)2Cl4
3.545(25.10) 100 3.904(22.76) 80 2.919(30.60) 70 Junoite Pb3Cu2Bi8(S,Se)16
3.546(25.09) 100 7.120(12.42) 100 2.520(35.60) 100 Berthierine (Fe++,Fe+++,Al,Mg)2-3(Si,Al)2O5(OH)4
3.549(25.07) 100 2.620(34.20) 95 4.187(21.20) 75 Chalcocyanite CuSO4
3.550(25.06) 100 2.800(31.94) 100 9.100(9.71) 60 Synchysite-(Ce) CaCe(CO3)2F
3.550(25.06) 100 3.230(27.59) 100 1.375(68.14) 100 Julienite Na2Co++(SCN)4•8(H2O)
3.550(25.06) 100 2.507(35.79) 35 2.050(44.14) 23 Alstonite BaCa(CO3)2
3.550(25.06) 100 2.510(35.74) 65 2.048(44.19) 20 Paralstonite BaCa(CO3)2
3.554(25.03) 100 5.481(16.16) 85 3.391(26.26) 63 Ramanite-(Rb) Rb[B5O6(OH)4]•2H2O
3.557(25.01) 100 3.462(25.71) 70 3.422(26.02) 55 Matteuccite NaHSO4•(H2O)
3.558(25.01) 100 3.101(28.77) 82 3.974(22.35) 72 Svenekite Ca(H2AsO4)2
3.559(25.00) 100 7.130(12.40) 47 3.078(28.99) 45 Natronambulite (Na,Li)Mn++4[Si5O14(OH)]
3.560(24.99) 100 8.810(10.03) 80 5.820(15.21) 50 Cuprocopiapite CuFe+++4(SO4)6(OH)2•20(H2O)
3.560(24.99) 100 1.101(88.79) 90 1.082(90.78) 90 Gladite PbCuBi5S9
3.560(24.99) 100 1.101(88.79) 90 1.308(72.16) 90 Gladite PbCuBi5S9
3.560(24.99) 100 9.700(9.11) 80 2.480(36.19) 80 IMA2009-009 KNa2Li(Mg,Fe)2Ti2Si8O24
3.560(24.99) 100 8.550(10.34) 100 5.070(17.48) 60 Metakirchheimerite Co(UO2)2(AsO4)2•8(H2O)
3.560(24.99) 100 5.990(14.78) 28 4.350(20.40) 23 Mikasaite Fe+++2(SO4)3
3.560(24.99) 100 1.082(90.78) 90 1.101(88.79) 90 Gladite PbCuBi5S9
3.560(24.99) 100 1.818(50.14) 55 2.640(33.93) 50 Cahnite Ca2B(AsO4)(OH)4
3.560(24.99) 100 1.824(49.96) 75 2.660(33.67) 50 Wakefieldite-(Y) YVO4
3.560(24.99) 100 1.829(49.81) 90 1.778(51.35) 80 Umangite Cu3Se2
3.560(24.99) 100 2.480(36.19) 80 9.700(9.11) 80 IMA2009-009 KNa2Li(Mg,Fe)2Ti2Si8O24
3.560(24.99) 100 2.553(35.12) 70 3.820(23.27) 50 Chenevixite Cu2Fe+++2(AsO4)2(OH)4•(H2O)
3.560(24.99) 100 2.910(30.70) 80 1.779(51.31) 65 Sulphohalite Na6(SO4)2FCl
3.560(24.99) 100 3.040(29.36) 80 3.200(27.86) 70 Uralolite Ca2Be4(PO4)3(OH)3•5(H2O)
3.560(24.99) 100 3.470(25.65) 58 4.800(18.47) 52 Museumite Pb2(Pb,Sb)2S8[Te,Au]2
3.561(24.98) 100 2.715(32.96) 39 3.058(29.18) 39 Carlosruizite K6(Na,K)4Na6Mg10(Se++++++O4)12(IO3)12•12(H2O)
3.561(24.98) 100 3.058(29.18) 39 2.715(32.96) 39 Carlosruizite K6(Na,K)4Na6Mg10(Se++++++O4)12(IO3)12•12(H2O)
3.562(24.98) 100 2.833(31.55) 80 4.673(18.98) 55 Parisite-(Ce) Ca(Ce,La)2(CO3)3F2
3.564(24.96) 100 2.654(33.74) 75 2.961(30.16) 70 Danburite CaB2(SiO4)2
3.569(24.93) 100 2.505(35.82) 80 3.008(29.67) 80 Boromuscovite KAl2(Si3B)O10(OH,F)2
3.569(24.93) 100 3.118(28.61) 80 3.530(25.21) 60 Bismuthinite Bi2S3
3.569(24.93) 100 3.008(29.67) 80 2.505(35.82) 80 Boromuscovite KAl2(Si3B)O10(OH,F)2
3.570(24.92) 100 3.239(27.52) 77 2.922(30.57) 67 Roedderite (Na,K)2(Mg,Fe++)5Si12O30
3.570(24.92) 100 5.030(17.62) 80 8.890(9.94) 80 Heinrichite Ba(UO2)2(AsO4)2•10-12(H2O)
3.570(24.92) 100 8.890(9.94) 80 5.030(17.62) 80 Heinrichite Ba(UO2)2(AsO4)2•10-12(H2O)
3.570(24.92) 100 8.650(10.22) 100 3.310(26.91) 90 Metauranopilite (UO2)6(SO4)(OH)10•5(H2O)
3.570(24.92) 100 8.650(10.22) 100 3.310(26.91) 90 Metauranospinite Ca(UO2)2(AsO4)2•8(H2O)
3.573(24.90) 100 2.135(42.30) 90 2.808(31.84) 80 Chabourneite (Tl,Pb)21(Sb,As)91S147
3.574(24.89) 100 2.906(30.74) 45 3.617(24.59) 40 Matlockite PbFCl
3.580(24.85) 100 7.200(12.28) 80 3.480(25.58) 80 Magnesiozippeite Mg(H2O)3.5(UO2)2(SO4)O2
3.580(24.85) 100 3.300(27.00) 100 2.730(32.78) 100 Vaterite CaCO3
3.580(24.85) 100 2.749(32.54) 100 4.800(18.47) 90 Edingtonite BaAl2Si3O10•4(H2O)
3.580(24.85) 100 3.190(27.95) 90 7.630(11.59) 90 Chapmanite Sb+++Fe+++2(SiO4)2(OH)
3.580(24.85) 100 3.080(28.97) 100 4.200(21.14) 100 Dalyite K2ZrSi6O15
3.580(24.85) 100 7.150(12.37) 100 2.330(38.61) 90 Dickite Al2Si2O5(OH)4
3.580(24.85) 100 3.590(24.78) 60 2.882(31.00) 55 Lorandite TlAsS2
3.580(24.85) 100 3.480(25.58) 80 7.200(12.28) 80 Magnesiozippeite Mg(H2O)3.5(UO2)2(SO4)O2
3.580(24.85) 100 2.591(34.59) 90 1.704(53.75) 80 Krivovichevite Pb3[Al(OH)6](SO4)(OH)
3.580(24.85) 100 7.630(11.59) 90 3.190(27.95) 90 Chapmanite Sb+++Fe+++2(SiO4)2(OH)
3.581(24.84) 100 2.191(41.17) 56 1.870(48.65) 47 Frankdicksonite BaF2
3.581(24.84) 100 3.890(22.84) 73 2.778(32.20) 56 Cotunnite PbCl2
3.583(24.83) 100 2.891(30.91) 100 7.250(12.20) 100 Schneiderhohnite Fe++Fe+++3As+++5O13
3.584(24.82) 100 3.161(28.21) 100 3.644(24.41) 100 Friedrichite Pb5Cu5Bi7S18
3.587(24.80) 100 3.139(28.41) 25 7.210(12.27) 20 Clinoclase Cu3(AsO4)(OH)3
3.590(24.78) 100 3.310(26.91) 100 3.070(29.06) 100 Polylithionite KLi2AlSi4O10(F,OH)2
3.590(24.78) 100 1.540(60.02) 100 4.360(20.35) 100 Neotocite (Mn,Fe++)SiO3•(H2O) (?)
3.590(24.78) 100 10.300(8.58) 100 5.200(17.04) 70 Zeunerite Cu(UO2)2(AsO4)2•10-16(H2O)
3.590(24.78) 100 3.490(25.50) 90 2.700(33.15) 90 Pierrotite Tl2Sb6As4S16
3.590(24.78) 100 8.660(10.21) 70 2.980(29.96) 60 Metalodevite Zn(UO2)2(AsO4)2•10(H2O)
3.590(24.78) 100 8.550(10.34) 90 4.290(20.69) 60 Metakahlerite Fe++(UO2)2(AsO4)2•8(H2O)
3.590(24.78) 100 2.700(33.15) 90 3.490(25.50) 90 Pierrotite Tl2Sb6As4S16
3.593(24.76) 100 3.316(26.86) 90 3.024(29.51) 80 Althausite Mg2(PO4)(OH,F,O)
3.593(24.76) 100 3.498(25.44) 50 2.487(36.09) 32 Cerussite PbCO3
3.599(24.72) 100 5.804(15.25) 74 2.814(31.77) 66 Uzonite As4S5
3.600(24.71) 100 1.840(49.50) 90 3.130(28.49) 80 Orlymanite Ca4Mn++3Si8O20(OH)6•2(H2O)
3.600(24.71) 100 3.490(25.50) 100 3.280(27.16) 100 Iranite Pb10Cu(CrO4)6(SiO4)2(F,OH)2
3.600(24.71) 100 3.180(28.04) 80 5.190(17.07) 70 Tisinalite Na3H3(Mn++,Ca,Fe)TiSi6(O,OH)18•2(H2O)
3.600(24.71) 100 3.410(26.11) 90 5.550(15.96) 70 Chenite Pb4Cu(SO4)2(OH)6
3.600(24.71) 100 8.340(10.60) 90 4.230(20.98) 40 Metauranocircite Ba(UO2)2(PO4)2•6-8(H2O)
3.600(24.71) 100 3.090(28.87) 100 3.060(29.16) 100 Ziesite Cu2V+++++2O7
3.603(24.69) 100 9.750(9.06) 100 3.816(23.29) 90 Amstallite CaAl(Si,Al)4O8(OH)4•((H2O),Cl)
3.607(24.66) 100 2.799(31.95) 85 2.777(32.21) 40 Kamaishilite Ca2Al2SiO6(OH)2
3.610(24.64) 100 9.080(9.73) 90 1.619(56.82) 60 Przhevalskite Pb(UO2)2(PO4)2•4(H2O)
3.610(24.64) 100 7.250(12.20) 100 3.170(28.13) 75 Vandendriesscheite Pb(UO2)10O6(OH)11•11(H2O)
3.610(24.64) 100 7.250(12.20) 100 3.170(28.13) 80 Metavandendriesscheite PbU7O22•n(H2O)(n<12)
3.619(24.58) 100 2.635(33.99) 80 3.437(25.90) 60 Fleischerite Pb3Ge(SO4)2(OH)6•3(H2O)
3.620(24.57) 100 3.510(25.35) 90 2.786(32.10) 90 Pekovite SrB2Si2O8
3.620(24.57) 100 2.021(44.81) 70 3.390(26.27) 60 Maleevite BaB2Si2O8
3.620(24.57) 100 2.570(34.88) 70 1.749(52.26) 60 Corderoite Hg3S2Cl2
3.620(24.57) 100 2.680(33.41) 55 1.850(49.21) 45 Chromatite CaCrO4
3.620(24.57) 100 3.390(26.27) 70 6.070(14.58) 60 Maleevite BaB2Si2O8
3.620(24.57) 100 3.150(28.31) 50 3.320(26.83) 50 Giessenite Pb13(Cu,Ag)(Bi,Sb)9S28 (?)
3.620(24.57) 100 3.320(26.83) 50 3.150(28.31) 50 Giessenite Pb13(Cu,Ag)(Bi,Sb)9S28 (?)

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