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X-Ray Diffraction Table |
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X-Ray Diffraction Table |
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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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 7.300(12.11) | 200 | 6.240(14.18) | 160 | 29.400(3.00) | 140 | Plumbotsumite | Pb5Si4O8(OH)10 |
| 7.300(12.11) | 200 | 11.860(7.45) | 200 | 5.936(14.91) | 160 | Whewellite | Ca(C2O4)·(H2O) |
| 7.310(12.10) | 200 | 6.962(12.70) | 160 | 5.350(16.56) | 124 | Mallestigite | Pb3Sb+++++(SO4)(AsO4)(OH)6·3(H2O) |
| 7.312(12.09) | 200 | 5.704(15.52) | 190 | 7.134(12.40) | 162 | Emilite | Cu2.68Pb2.68Bi5.32S12 |
| 7.312(12.09) | 200 | 5.478(16.17) | 120 | 9.700(9.11) | 80 | Dreyerite | BiVO4 |
| 7.320(12.08) | 200 | 5.280(16.78) | 80 | 3.660(24.30) | 70 | Salesite | Cu(IO3)(OH) |
| 7.320(12.08) | 200 | 8.920(9.91) | 164 | 12.660(6.98) | 120 | Tsaregorodtsevite | N(CH3)4AlSi5O12 |
| 7.320(12.08) | 200 | 6.160(14.37) | 162 | 16.640(5.31) | 142 | Protoanthophyllite | (Mg,Fe)7Si8O22(OH)2 |
| 7.320(12.08) | 200 | 8.220(10.75) | 180 | 16.520(5.35) | 140 | Prewittite | KPb1.5ZnCu6O2(SeO3)2Cl10 |
| 7.320(12.08) | 200 | 7.800(11.33) | 200 | 4.500(19.71) | 180 | Ice | H2O |
| 7.340(12.05) | 200 | 5.776(15.33) | 134 | 12.292(7.19) | 86 | Aheylite | (Fe++,Zn)Al6(PO4)4(OH)8·4(H2O) |
| 7.340(12.05) | 200 | 3.132(28.47) | 160 | 5.350(16.56) | 160 | Sodium-autunite | Na2(UO2)2(PO4)2·8(H2O) |
| 7.340(12.05) | 200 | 5.480(16.16) | 102 | 9.680(9.13) | 54 | Wakefieldite-(Nd) | NdVO4 |
| 7.340(12.05) | 200 | 5.260(16.84) | 180 | 5.720(15.48) | 170 | Kalicinite | KHCO3 |
| 7.340(12.05) | 200 | 5.560(15.93) | 180 | 6.060(14.61) | 180 | Hurlbutite | CaBe2(PO4)2 |
| 7.340(12.05) | 200 | 6.034(14.67) | 144 | 6.044(14.64) | 144 | Angelaite | Cu2AgPbBiS4 |
| 7.340(12.05) | 200 | 3.132(28.47) | 160 | 5.350(16.56) | 160 | Sodium meta-autunite | Na2(UO2)2(PO4)2·6-8(H2O) |
| 7.352(12.03) | 200 | 8.652(10.22) | 200 | 4.148(21.40) | 120 | Gysinite-(Nd) | Pb(Nd,La)(CO3)2(OH)·(H2O) |
| 7.356(12.02) | 200 | 5.532(16.01) | 180 | 3.782(23.50) | 140 | Wakefieldite-(Ce) | (Ce+++,Pb++,Pb++++)VO4 |
| 7.360(12.01) | 200 | 5.820(15.21) | 160 | 12.340(7.16) | 140 | Turquoise | CuAl6(PO4)4(OH)8·4(H2O) |
| 7.360(12.01) | 200 | 17.420(5.07) | 200 | 6.960(12.71) | 160 | Metatorbernite | Cu(UO2)2(PO4)2·8(H2O) |
| 7.360(12.01) | 200 | 16.100(5.48) | 180 | 13.360(6.61) | 140 | Metasideronatrite | Na2Fe+++(SO4)2(OH)·(H2O) |
| 7.360(12.01) | 200 | 5.260(16.84) | 160 | 8.740(10.11) | 120 | Berthierite | FeSb2S4 |
| 7.360(12.01) | 200 | 5.780(15.32) | 160 | 13.400(6.59) | 140 | Faustite | (Zn,Cu)Al6(PO4)4(OH)8·4(H2O) |
| 7.364(12.01) | 200 | 6.198(14.28) | 180 | 10.700(8.26) | 180 | Schmitterite | (UO2)TeO3 |
| 7.370(12.00) | 200 | 6.340(13.96) | 190 | 2.852(31.34) | 160 | Phosphoellenbergerite | Mg14(PO4)6(PO3OH,CO3)2(OH)6 |
| 7.372(12.00) | 200 | 7.218(12.25) | 98 | 5.338(16.59) | 84 | Challacolloite | KPb2Cl5 |
| 7.376(11.99) | 200 | 6.596(13.41) | 200 | 9.640(9.17) | 160 | Afghanite | (Na,Ca,K)8(Si,Al)12O24(SO4,Cl,CO3)3·(H2O) |
| 7.380(11.98) | 200 | 5.842(15.15) | 180 | 16.600(5.32) | 180 | Godovikovite | (NH4)(Al,Fe+++)(SO4)2 |
| 7.382(11.98) | 200 | 5.278(16.78) | 146 | 7.174(12.33) | 140 | IMA2008-006 | [Na82.5Ca33K16.5](Si99Al99O396)(SO4)33·4H2O |
| 7.392(11.96) | 200 | 7.942(11.13) | 166 | 4.218(21.04) | 90 | Hephaistosite | TlPb2Cl5 |
| 7.396(11.96) | 200 | 5.676(15.60) | 198 | 5.988(14.78) | 192 | Paradamite | Zn2(AsO4)(OH) |
| 7.400(11.95) | 200 | 8.420(10.50) | 160 | 8.180(10.81) | 120 | Cyanochroite | K2Cu(SO4)2·6(H2O) |
| 7.400(11.95) | 200 | 10.160(8.70) | 160 | 12.080(7.31) | 160 | Kolwezite | (Cu,Co)2(CO3)(OH)2 |
| 7.412(11.93) | 200 | 8.128(10.88) | 190 | 8.312(10.63) | 170 | Picromerite | K2Mg(SO4)2·6(H2O) |
| 7.414(11.93) | 200 | 5.246(16.89) | 140 | 4.176(21.26) | 100 | Wakefieldite-(La) | LaVO4 |
| 7.416(11.92) | 200 | 5.834(15.17) | 140 | 6.996(12.64) | 128 | Slawsonite | (Sr,Ca)Al2Si2O8 |
| 7.416(11.92) | 200 | 10.188(8.67) | 160 | 5.202(17.03) | 140 | Rosasite | (Cu,Zn)2(CO3)(OH)2 |
| 7.420(11.92) | 200 | 5.240(16.91) | 160 | 5.740(15.42) | 90 | Lazurite | Na3Ca(Al3Si3O12)S |
| 7.420(11.92) | 200 | 5.256(16.85) | 150 | 12.900(6.85) | 140 | Nosean | Na8Al6Si6O24(SO4) |
| 7.420(11.92) | 200 | 17.100(5.16) | 200 | 10.820(8.16) | 180 | Metaheinrichite | Ba(UO2)2(AsO4)2·8(H2O) |
| 7.420(11.92) | 200 | 5.940(14.90) | 160 | 6.666(13.27) | 120 | Jaskolskiite | Pb2+xCux(Sb,Bi)2-xS5, x=0.2 |
| 7.422(11.91) | 200 | 6.628(13.35) | 160 | 9.684(9.12) | 80 | Tounkite | (Na,Ca,K)8Al6Si6O24(SO4)2Cl·(H2O) |
| 7.424(11.91) | 200 | 6.892(12.83) | 160 | 6.252(14.15) | 140 | Giuseppettite | [Na42K16Ca6]S64Si48Al48O192(SO4)10Cl2·5H2O |
| 7.430(11.90) | 200 | 6.630(13.34) | 150 | 9.680(9.13) | 72 | Liottite | (Ca,Na,K)8(Si,Al)12O24[(SO4),(CO3),Cl,OH]4·(H2O) |
| 7.440(11.89) | 200 | 6.626(13.35) | 180 | 7.838(11.28) | 160 | Bystrite | (Na,K)7Ca(Si6Al6)O24S4.5·(H2O) |
| 7.440(11.89) | 200 | 5.820(15.21) | 160 | 3.900(22.78) | 100 | Archerite | (K,NH4)H2PO4 |
| 7.440(11.89) | 200 | 6.340(13.96) | 180 | 6.700(13.20) | 180 | Bellingerite | Cu++3(IO3)6·2(H2O) |
| 7.440(11.89) | 200 | 5.484(16.15) | 150 | 6.640(13.32) | 80 | Benitoite | BaTiSi3O9 |
| 7.440(11.89) | 200 | 6.600(13.40) | 94 | 22.140(3.99) | 38 | Biachellaite | (Na,Ca,K)8(Si6Al6O24)(SO4)2(OH)0.5·H2O |
| 7.440(11.89) | 200 | 4.300(20.64) | 170 | 6.580(13.45) | 150 | Cadmoselite | CdSe |
| 7.440(11.89) | 200 | 7.180(12.32) | 86 | 7.620(11.60) | 84 | Franzinite | [(Na,K)30Ca10][Si30Al30O120](SO4)10·2(H2O) |
| 7.440(11.89) | 200 | 5.260(16.84) | 100 | 12.900(6.85) | 60 | Hauyne | (Na,Ca)4-8Al6Si6(O,S)24(SO4,Cl)1-2 |
| 7.440(11.89) | 200 | 7.360(12.01) | 106 | 4.300(20.64) | 56 | Witherite | BaCO3 |
| 7.444(11.88) | 200 | 6.970(12.69) | 130 | 6.238(14.19) | 72 | Farneseite | (Na37K9Ca10)S56(Si42Al42)S84O168(SO4)12·6(H2O) |
| 7.446(11.88) | 200 | 8.026(11.01) | 180 | 13.600(6.49) | 160 | Jurbanite | Al(SO4)(OH)·5(H2O) |
| 7.450(11.87) | 200 | 7.026(12.59) | 160 | 8.400(10.52) | 84 | Marinellite | [(Na,K)42Ca6](Si36Al36O144)(SO4)8Cl2·6(H2O) |
| 7.460(11.85) | 200 | 6.966(12.70) | 86 | 5.296(16.73) | 60 | Sacrofanite | (Na,Ca,K)9Si6Al6O24[(OH),(SO4),(CO3),Cl)]4·n(H2O) |
| 7.460(11.85) | 200 | 17.720(4.98) | 200 | 11.140(7.93) | 160 | Metazeunerite | Cu(UO2)2(AsO4)2·8(H2O) |
| 7.460(11.85) | 200 | 6.280(14.09) | 160 | 6.620(13.36) | 120 | Penfieldite | Pb2Cl3(OH) |
| 7.460(11.85) | 200 | 4.592(19.31) | 170 | 7.960(11.11) | 120 | Iodargyrite | AgI |
| 7.460(11.85) | 200 | 5.820(15.21) | 188 | 5.860(15.11) | 166 | IMA2009-018 | MgWO4 |
| 7.460(11.85) | 200 | 6.120(14.46) | 180 | 3.666(24.26) | 140 | Hugelite | Pb2(UO2)3(AsO4)2(OH)4·3(H2O) |
| 7.460(11.85) | 200 | 5.140(17.24) | 160 | 5.700(15.53) | 140 | Dmisteinbergite | CaAl2Si2O8 |
| 7.462(11.85) | 200 | 7.344(12.04) | 68 | 7.298(12.12) | 48 | Petalite | LiAlSi4O10 |
| 7.462(11.85) | 200 | 6.436(13.75) | 90 | 6.050(14.63) | 80 | Boulangerite | Pb5Sb4S11 |
| 7.468(11.84) | 200 | 5.500(16.10) | 120 | 3.800(23.39) | 106 | Falkmanite | Pb5Sb4S11 |
| 7.480(11.82) | 200 | 3.338(26.68) | 140 | 5.260(16.84) | 120 | Sohngeite | Ga(OH)3 |
| 7.480(11.82) | 200 | 4.580(19.36) | 180 | 3.898(22.79) | 140 | Coloradoite | HgTe |
| 7.480(11.82) | 200 | 6.000(14.75) | 180 | 5.400(16.40) | 160 | Dufrenoysite | Pb2As2S5 |
| 7.480(11.82) | 200 | 6.700(13.20) | 180 | 6.480(13.65) | 160 | Bavenite | Ca4Be2Al2Si9O26(OH)2 |
| 7.482(11.82) | 200 | 5.068(17.48) | 180 | 29.946(2.95) | 180 | Theisite | Cu5Zn5[(As+++++,Sb+++++)O4]2(OH)14 |
| 7.490(11.81) | 200 | 13.658(6.47) | 180 | 7.384(11.98) | 120 | Planerite | Al6(PO4)2(PO3OH)2(OH)8·4(H2O) |
| 7.498(11.79) | 200 | 7.192(12.30) | 154 | 5.806(15.25) | 138 | Medenbachite | Bi2Fe+++(Cu,Fe+++)(O,OH)2(OH)2(AsO4)2 |
| 7.500(11.79) | 200 | 6.040(14.65) | 180 | 10.480(8.43) | 180 | Biphosphammite | (NH4,K)H2PO4 |
| 7.500(11.79) | 200 | 6.220(14.23) | 188 | 4.720(18.78) | 164 | Zhangpeishanite | BaFCl |
| 7.504(11.78) | 200 | 9.260(9.54) | 180 | 6.700(13.20) | 160 | Drugmanite | Pb2(Fe+++,Al)H(PO4)2(OH)2 |
| 7.506(11.78) | 200 | 5.802(15.26) | 192 | 5.332(16.61) | 144 | Cobaltneustadtelite | Bi2Fe+++(Co,Fe+++)(O,OH)2(OH)2(AsO4)2 |
| 7.508(11.78) | 200 | 5.818(15.22) | 30 | 7.830(11.29) | 20 | Yeelimite | Ca4Al6O12(SO4) |
| 7.510(11.77) | 200 | 7.840(11.28) | 200 | 12.142(7.27) | 200 | Pentagonite | Ca(VO)Si4O10·4(H2O) |
| 7.518(11.76) | 200 | 5.182(17.10) | 134 | 5.546(15.97) | 114 | Szenicsite | Cu3MoO4(OH)4 |
| 7.520(11.76) | 200 | 11.320(7.80) | 200 | 28.600(3.09) | 200 | Faujasite-Na | (Na2,Ca,Mg)3.5[Al7Si17O48]·32(H2O) |
| 7.520(11.76) | 200 | 11.320(7.80) | 200 | 28.600(3.09) | 200 | Faujasite-Mg | (Mg,Na2,Ca)3.5[Al7Si17O48]·32(H2O) |
| 7.520(11.76) | 200 | 11.320(7.80) | 200 | 28.600(3.09) | 200 | Faujasite-Ca | (Ca,Na2,Mg)3.5[Al7Si17O48]·32(H2O) |
| 7.534(11.74) | 200 | 5.310(16.68) | 160 | 3.374(26.39) | 140 | Stottite | Fe++Ge(OH)6 |
| 7.538(11.73) | 200 | 7.696(11.49) | 200 | 7.312(12.09) | 172 | Krasnogorite | WO3 |
| 7.538(11.73) | 200 | 5.280(16.78) | 130 | 6.132(14.43) | 102 | Sanromanite | Na2CaPb3(CO3)5 |
| 7.540(11.73) | 200 | 6.780(13.05) | 140 | 6.040(14.65) | 120 | Chalcosiderite | CuFe+++6(PO4)4(OH)8·4(H2O) |
| 7.540(11.73) | 200 | 5.800(15.26) | 180 | 5.860(15.11) | 160 | Kapitsaite-(Y) | (Ba,K,Pb,Na)4(Y,Ca,REE)2[Si8B2(B,Si)2O28F] |
| 7.540(11.73) | 200 | 5.560(15.93) | 180 | 6.740(13.12) | 100 | Pabstite | Ba(Sn,Ti)Si3O9 |
| 7.546(11.72) | 200 | 4.226(21.00) | 186 | 7.692(11.49) | 80 | Steropesite | Tl3BiCl6 |
| 7.560(11.70) | 200 | 7.460(11.85) | 112 | 6.066(14.59) | 110 | Niter | KNO3 |
| 7.568(11.68) | 200 | 3.384(26.31) | 34 | 4.786(18.52) | 32 | Bernalite | Fe(OH)3 |
| 7.570(11.68) | 200 | 15.260(5.79) | 200 | 3.650(24.37) | 40 | Quintinite-2H | Mg4Al2(OH)12CO3·4(H2O) |
| 7.580(11.66) | 200 | 20.320(4.34) | 130 | 23.880(3.70) | 80 | Terranovaite | (Na,Ca)8(Si68Al12)O160·29(H2O) |
| 7.594(11.64) | 200 | 7.276(12.15) | 94 | 5.550(15.96) | 70 | Santarosaite | CuB2O4 |
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