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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 |
| 7.480(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 |
| 7.480(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 |
| 7.482(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-Ca | (Ca,Na2,Mg)3.5[Al7Si17O48]·32(H2O) |
| 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) |
| 7.534(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 | 5.560(15.93) | 180 | 6.740(13.12) | 100 | Pabstite | Ba(Sn,Ti)Si3O9 |
| 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] |
| 7.546(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 |
| 7.600(11.63) | 200 | 18.040(4.89) | 200 | 6.520(13.57) | 180 | Uramphite | (NH4)(UO2)(PO4)·3(H2O) |
| 7.600(11.63) | 200 | 13.160(6.71) | 160 | 4.420(20.07) | 140 | Bellbergite | (K,Ba,Sr)2Sr2Ca2(Ca,Na)4Al18Si18O72·30(H2O) |
| 7.600(11.63) | 200 | 4.680(18.95) | 80 | 5.900(15.00) | 80 | Mozgovaite | PbBi4(S,Se)7 |
| 7.602(11.63) | 200 | 5.534(16.00) | 86 | 5.464(16.21) | 82 | Edenharterite | TlPbAs3S6 |
| 7.616(11.61) | 200 | 9.188(9.62) | 150 | 7.804(11.33) | 120 | Lokkaite-(Y) | CaY4(CO3)7·9(H2O) |
| 7.616(11.61) | 200 | 5.392(16.43) | 140 | 3.814(23.30) | 60 | Kimrobinsonite | Ta(OH)3(O,CO3) |
| 7.620(11.60) | 200 | 6.060(14.61) | 180 | 6.840(12.93) | 160 | Veenite | Pb2(Sb,As)2S5 |
| 7.620(11.60) | 200 | 13.040(6.77) | 192 | 6.762(13.08) | 144 | Buddingtonite | (NH4)AlSi3O8·0.5(H2O) |
| 7.622(11.60) | 200 | 5.716(15.49) | 150 | 5.490(16.13) | 100 | Nezilovite | PbZn2(Mn++++,Ti++++)2Fe+++8O19 |
| 7.640(11.57) | 200 | 5.360(16.53) | 120 | 6.020(14.70) | 120 | Cannizzarite | Pb4Bi6S13 |
| 7.640(11.57) | 200 | 6.260(14.14) | 180 | 9.060(9.75) | 160 | Hambergite | Be2BO3(OH) |
| 7.654(11.55) | 200 | 6.324(13.99) | 180 | 8.920(9.91) | 180 | Schuilingite-(Nd) | PbCu(Nd,Gd,Sm,Y)(CO3)3(OH)·1.5(H2O) |
| 7.660(11.54) | 200 | 8.860(9.98) | 200 | 5.420(16.34) | 190 | Pseudoboleite | Pb5Cu4Cl10(OH)8·2(H2O) |
| 7.660(11.54) | 200 | 5.420(16.34) | 140 | 3.420(26.03) | 120 | Jeanbandyite | (Fe+++,Mn++)Sn++++(OH)6 |
| 7.660(11.54) | 200 | 5.590(15.84) | 170 | 6.690(13.22) | 120 | Shibkovite | K(Ca,Mn,Na)2(K2-x,[ ]x)2ZnSi12O30 (x~0.8) |
| 7.668(11.53) | 200 | 5.980(14.80) | 180 | 8.178(10.81) | 180 | Senegalite | Al2(PO4)(OH)3·(H2O) |
| 7.680(11.51) | 200 | 3.440(25.88) | 180 | 3.140(28.40) | 160 | Vismirnovite | ZnSn++++(OH)6 |
| 7.680(11.51) | 200 | 6.520(13.57) | 180 | 6.820(12.97) | 180 | Mercallite | KHSO4 |
| 7.680(11.51) | 200 | 7.440(11.89) | 200 | 6.820(12.97) | 80 | Liberite | Li2BeSiO4 |
| 7.680(11.51) | 200 | 5.020(17.65) | 118 | 5.540(15.98) | 92 | Chopinite | (Mg,Fe)3(PO4)2 |
| 7.680(11.51) | 200 | 10.680(8.27) | 90 | 12.720(6.94) | 90 | Krauskopfite | BaSi2O4(OH)2·2(H2O) |
| 7.684(11.51) | 200 | 6.406(13.81) | 168 | 18.880(4.68) | 160 | Agrellite | NaCa2Si4O10F |
| 7.692(11.49) | 200 | 6.384(13.86) | 180 | 7.022(12.60) | 180 | Cordylite-(Ce) | Ba(Ce,La)2(CO3)3F2 |
| 7.694(11.49) | 200 | 6.160(14.37) | 180 | 6.536(13.54) | 160 | Weibullite | Pb6Bi8(S,Se)18 |
| 7.700(11.48) | 200 | 15.440(5.72) | 200 | 16.820(5.25) | 160 | Arsenuranylite | Ca(UO2)4(AsO4)2(OH)4·6(H2O) |
| 7.700(11.48) | 200 | 8.320(10.62) | 200 | 11.600(7.61) | 160 | Lansfordite | MgCO3·5(H2O) |
| 7.700(11.48) | 200 | 7.500(11.79) | 196 | 22.400(3.94) | 168 | Mutinaite | Na3Ca4Si85Al11O192·60(H2O) |
| 7.700(11.48) | 200 | 6.420(13.78) | 120 | 6.880(12.86) | 80 | Sulfur | S8 |
| 7.704(11.48) | 200 | 10.072(8.77) | 200 | 18.240(4.84) | 200 | Sieleckiite | Cu3Al4(PO4)2(OH)12·2(H2O) |
| 7.740(11.42) | 200 | 6.440(13.74) | 140 | 5.920(14.95) | 80 | Fuloppite | Pb3Sb8S15 |
| 7.740(11.42) | 200 | 15.260(5.79) | 200 | 5.800(15.26) | 140 | Bismutoferrite | BiFe+++2(SiO4)2(OH) |
| 7.758(11.40) | 200 | 5.242(16.90) | 126 | 29.766(2.97) | 92 | Kampfite | Ba12(Si11Al5)O31(CO3)8Cl5 |
| 7.760(11.39) | 200 | 6.660(13.28) | 160 | 5.380(16.46) | 120 | Shakhovite | Hg+4Sb+++++O3(OH)3 |
| 7.760(11.39) | 200 | 5.480(16.16) | 100 | 3.458(25.74) | 70 | Mushistonite | (Cu,Zn,Fe)Sn++++(OH)6 |
| 7.760(11.39) | 200 | 5.000(17.72) | 60 | 4.660(19.03) | 36 | Moolooite | Cu++(C2O4)·n(H2O) (n < 1) |
| 7.760(11.39) | 200 | 5.400(16.40) | 160 | 5.576(15.88) | 60 | Hectorfloresite | Na9(IO3)(SO4)4 |
| 7.760(11.39) | 200 | 11.660(7.58) | 200 | 23.200(3.81) | 200 | Kolovratite | Hydrous vanadate of Ni and Zn |
| 7.760(11.39) | 200 | 8.960(9.86) | 100 | 5.480(16.16) | 50 | Schoenfliesite | MgSn++++(OH)6 |
| 7.760(11.39) | 200 | 5.590(15.84) | 188 | 5.272(16.80) | 138 | Tivanite | V+++TiO3(OH) |
| 7.780(11.36) | 200 | 5.880(15.05) | 196 | 5.180(17.10) | 196 | IMA2009-021 | Li4(Na,Ca)12(Y,Ca,REE)6Zr6(PO4)12(CO3)4O4[(OH),F]4 |
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