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 186 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.48586 AND d1 < 3.62814)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.486(25.53) 100 1.831(49.76) 50 10.449(8.46) 50 Straczekite (Ca,K,Ba)(V5+,V4+)8O20•3H2O
3.486(25.53) 100 10.449(8.46) 50 1.831(49.76) 50 Straczekite (Ca,K,Ba)(V5+,V4+)8O20•3H2O
3.487(25.52) 100 2.626(34.11) 68 1.798(50.73) 61 IMA2008-035 CeSiO4
3.488(25.52) 100 2.648(33.82) 35 2.109(42.84) 22 Rosiaite PbSb+++++2O6
3.490(25.50) 100 3.280(27.16) 100 3.600(24.71) 100 Iranite Pb10Cu(CrO4)6(SiO4)2(F,OH)2
3.490(25.50) 100 2.680(33.41) 90 2.560(35.02) 90 Tungstite WO3•(H2O)
3.490(25.50) 100 2.980(29.96) 100 2.920(30.59) 100 Tvalchrelidzeite Hg3SbAsS3
3.490(25.50) 100 2.863(31.22) 100 2.708(33.05) 60 Beusite (Mn++,Fe++,Ca,Mg)3(PO4)2
3.490(25.50) 100 2.560(35.02) 90 2.680(33.41) 90 Tungstite WO3•(H2O)
3.490(25.50) 100 2.849(31.37) 35 2.328(38.64) 20 Anhydrite CaSO4
3.490(25.50) 100 3.220(27.68) 80 1.989(45.57) 60 Treasurite Ag7Pb6Bi15S32
3.493(25.48) 100 2.832(31.57) 100 4.150(21.39) 90 Parapierrotite Tl(Sb,As)5S8
3.493(25.48) 100 2.139(42.21) 55 1.824(49.96) 30 Marshite CuI
3.495(25.46) 100 3.319(26.84) 100 7.120(12.42) 100 Rameauite K2CaU++++++6O20•9(H2O)
3.498(25.44) 100 9.780(9.03) 46 9.600(9.20) 38 Nepskoeite Mg4Cl(OH)7•6(H2O)
3.498(25.44) 100 7.208(12.27) 70 2.507(35.79) 50 Luetheite Cu2Al2(AsO4)2(OH)4•(H2O)
3.499(25.43) 100 3.135(28.45) 40 4.900(18.09) 35 Szmikite MnSO4•(H2O)
3.499(25.43) 100 2.702(33.13) 100 4.644(19.10) 55 Pucherite BiVO4
3.500(25.43) 100 2.850(31.36) 50 2.340(38.44) 50 Koenenite Na4Mg4Cl12•Mg5Al4(OH)22
3.500(25.43) 100 2.800(31.94) 100 1.856(49.04) 100 Plattnerite PbO2
3.500(25.43) 100 3.190(27.95) 100 2.070(43.69) 100 Banalsite BaNa2Al4Si4O16
3.500(25.43) 100 2.490(36.04) 90 2.030(44.60) 90 Olekminskite Sr(Sr,Ca,Ba)(CO3)2
3.500(25.43) 100 4.810(18.43) 100 4.300(20.64) 100 Halotrichite Fe++Al2(SO4)4•22(H2O)
3.500(25.43) 100 4.760(18.63) 85 4.580(19.36) 65 Mendozite NaAl(SO4)2•11(H2O)
3.500(25.43) 100 4.300(20.64) 100 4.810(18.43) 100 Halotrichite Fe++Al2(SO4)4•22(H2O)
3.500(25.43) 100 3.030(29.45) 80 2.610(34.33) 60 Yoderite Mg2(Al,Fe+++)6Si4O18(OH)2
3.500(25.43) 100 10.560(8.37) 100 2.780(32.17) 80 Nalivkinite Li2NaFe++7Ti2Si8O24(OH)4F
3.500(25.43) 100 2.800(31.94) 70 2.660(33.67) 50 Zircophyllite K2(Na,Ca)(Mn,Fe++)7(Zr,Nb)2Si8O26(OH)4F
3.500(25.43) 100 2.773(32.26) 90 2.961(30.16) 80 Hydroromarchite Sn3O2(OH)2
3.500(25.43) 100 2.340(38.44) 50 2.850(31.36) 50 Koenenite Na4Mg4Cl12•Mg5Al4(OH)22
3.500(25.43) 100 2.030(44.60) 90 2.490(36.04) 90 Olekminskite Sr(Sr,Ca,Ba)(CO3)2
3.500(25.43) 100 4.150(21.39) 55 2.670(33.54) 40 Lindgrenite Cu3(MoO4)2(OH)2
3.500(25.43)
-
2.889(30.93)
-
2.865(31.19)
-
Vanadoandrosite-(Ce) (Mn++,Ca)(REE)V+++AlMn++(Si2O7)(SiO4)O(OH)
3.502(25.41) 100 2.033(44.53) 40 5.820(15.21) 35 Millosevichite (Al,Fe+++)2(SO4)3
3.503(25.41) 100 2.516(35.66) 19 4.633(19.14) 15 Serrabrancaite MnPO4•(H2O)
3.505(25.39) 100 4.706(18.84) 100 4.767(18.60) 100 Acuminite SrAlF4(OH)•(H2O)
3.505(25.39) 100 4.767(18.60) 100 4.706(18.84) 100 Acuminite SrAlF4(OH)•(H2O)
3.505(25.39) 100 6.608(13.39) 78 5.270(16.81) 60 Uklonskovite NaMg(SO4)F•2(H2O)
3.505(25.39) 100 3.006(29.70) 100 6.200(14.27) 100 Grumantite NaHSi2O5•(H2O)
3.506(25.38) 100 10.520(8.40) 90 2.778(32.20) 80 Niobophyllite K2Na(Fe++,Mn)7(Nb,Ti)2Si8O26(OH)4(F,O)
3.507(25.38) 100 3.441(25.87) 100 4.020(22.09) 100 Nalipoite NaLi2PO4
3.510(25.35) 100 3.032(29.43) 100 8.790(10.05) 80 Piretite Ca(UO2)3(SeO3)2(OH)4-4(H2O)
3.510(25.35) 100 2.920(30.59) 90 2.140(42.19) 90 Lillianite Pb3Bi2S6
3.510(25.35) 100 3.022(29.53) 100 2.615(34.26) 90 Davanite K2TiSi6O15
3.510(25.35) 100 2.920(30.59) 100 3.720(23.90) 100 Neyite AgCu3Pb12.5Bi13S34
3.510(25.35) 100 2.640(33.93) 100 2.570(34.88) 50 Kupletskite K2Na(Mn,Fe++)7(Ti,Nb)2Si8O26(OH)4F
3.510(25.35) 100 2.344(38.37) 80 2.780(32.17) 70 Twinnite Pb(Sb,As)2S4
3.510(25.35) 100 10.550(8.37) 90 2.643(33.89) 80 Hydroastrophyllite (H3O,K)2Ca(Fe+++,Mn)5-6Ti2Si8O26(OH)4F
3.510(25.35) 100 4.210(21.08) 100 4.850(18.28) 50 Bilinite Fe++Fe+++2(SO4)4•22(H2O)
3.510(25.35) 100 3.282(27.15) 82 3.238(27.52) 71 Stibioclaudetite AsSbO3
3.510(25.35) 100 2.900(30.81) 90 3.470(25.65) 80 Brookite TiO2
3.510(25.35) 100 2.687(33.32) 70 2.780(32.17) 60 Ericssonite BaMn++2Fe+++O[Si2O7](OH)
3.510(25.35) 100 2.151(41.97) 50 1.835(49.64) 30 Tiemannite HgSe
3.510(25.35) 100 2.140(42.19) 90 2.920(30.59) 90 Lillianite Pb3Bi2S6
3.510(25.35) 100 1.891(48.08) 33 2.379(37.78) 22 Anatase TiO2
3.511(25.35) 100 2.870(31.14) 60 3.103(28.75) 45 Davreuxite MnAl6Si4O17(OH)2
3.512(25.34) 100 3.202(27.84) 78 3.015(29.60) 69 Laffittite AgHgAsS3
3.512(25.34) 100 14.100(6.26) 100 4.710(18.83) 70 Borocookeite Li(1+3x)Al(4-x)(BSi3)O10(OH,F)8 [x = 0-0.33]
3.513(25.33) 100 7.040(12.56) 100 2.514(35.68) 90 Orthochamosite (Fe++,Mg,Fe+++)5Al(Si3Al)O10(OH,O)8
3.515(25.32) 100 4.460(19.89) 43 2.605(34.40) 36 Grossite CaAl4O7
3.516(25.31) 100 3.171(28.12) 80 3.669(24.24) 60 Hashemite Ba(Cr,S)O4
3.516(25.31) 100 2.224(40.53) 70 5.150(17.20) 55 Azurite Cu3(CO3)2(OH)2
3.519(25.29) 100 2.644(33.88) 100 1.811(50.34) 100 Chernovite-(Y) YAsO4
3.520(25.28) 100 2.547(35.21) 81 3.945(22.52) 72 Sarcopside (Fe++,Mn,Mg)3(PO4)2
3.520(25.28) 100 4.330(20.49) 100 4.840(18.31) 40 Dietrichite (Zn,Fe++,Mn)Al2(SO4)4•22(H2O)
3.520(25.28) 100 3.380(26.35) 100 2.070(43.69) 60 Lausenite Fe+++2(SO4)3•6(H2O)
3.520(25.28) 100 6.130(14.44) 80 3.570(24.92) 60 Tugtupite Na4AlBeSi4O12Cl
3.520(25.28) 100 4.820(18.39) 90 3.790(23.45) 35 Apjohnite MnAl2(SO4)4•22(H2O)
3.520(25.28) 100 7.690(11.50) 95 3.360(26.51) 80 Hoelite (C6H4)2(CO)2
3.520(25.28) 100 7.060(12.53) 100 1.925(47.17) 70 Amesite Mg2Al(SiAl)O5(OH)4
3.520(25.28) 100 7.050(12.55) 100 2.520(35.60) 90 Chamosite (Fe++,Mg,Fe+++)5Al(Si3Al)O10(OH,O)8
3.520(25.28) 100 2.795(31.99) 90 4.190(21.19) 50 Guettardite Pb(Sb,As)2S4
3.527(25.23) 100 1.483(62.58) 100 1.057(93.56) 100 Ustarasite Pb(Bi,Sb)6S10
3.527(25.23) 100 3.397(26.21) 71 2.313(38.90) 43 Podlesnoite BaCa2(CO3)2F2
3.528(25.22) 100 2.816(31.75) 100 2.540(35.31) 100 Junitoite CaZn2Si2O7•(H2O)
3.530(25.21) 100 2.917(30.62) 60 2.605(34.40) 50 Susannite Pb4(SO4)(CO3)2(OH)2
3.530(25.21) 100 4.690(18.91) 90 2.650(33.80) 80 Thorite ThSiO4
3.530(25.21) 100 11.100(7.96) 80 5.550(15.96) 50 Kahlerite Fe++(UO2)2(AsO4)2•10-12(H2O)
3.530(25.21) 100 2.917(30.62) 60 2.605(34.40) 50 Leadhillite Pb4(SO4)(CO3)2(OH)2
3.531(25.20) 100 10.420(8.48) 90 2.209(40.82) 80 Chelkarite CaMgB2O4Cl2•7(H2O) (?)
3.535(25.17) 100 3.450(25.80) 70 2.053(44.07) 50 Strontianite SrCO3
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 3.056(29.20) 97 2.890(30.92) 96 Geocronite Pb14(Sb,As)6S23
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 3.781(23.51) 65 9.510(9.29) 50 Ferrierite-K (K,Na)2Mg(Si,Al)18O36•9(H2O)
3.537(25.16) 100 4.695(18.89) 90 2.653(33.76) 60 Thorogummite Th(SiO4)1-x(OH)4x
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

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