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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 |
| 8.230(10.74) | 200 | 6.220(14.23) | 168 | 4.656(19.05) | 98 | Schiavinatoite | (Nb,Ta)BO4 |
| 8.256(10.71) | 200 | 3.867(22.98) | 108 | 5.338(16.59) | 102 | Suredaite | PbSnS3 |
| 8.260(10.70) | 200 | 6.400(13.83) | 100 | 6.300(14.05) | 80 | Umohoite | [(UO2)MoO4]·H2O |
| 8.262(10.70) | 200 | 10.990(8.04) | 150 | 5.340(16.59) | 90 | Ottemannite | Sn2S3 |
| 8.274(10.68) | 200 | 24.400(3.62) | 72 | 11.284(7.83) | 58 | Hematolite | (Mn,Mg,Al)15(AsO3)(AsO4)2(OH)23 |
| 8.280(10.68) | 200 | 6.680(13.24) | 192 | 13.380(6.60) | 122 | Ekanite | ThCa2Si8O20 |
| 8.288(10.67) | 200 | 5.834(15.17) | 180 | 4.826(18.37) | 160 | Laflammeite | Pd3Pb2S2 |
| 8.298(10.65) | 200 | 5.914(14.97) | 180 | 7.188(12.30) | 160 | Baumhauerite | Pb3As4S9 |
| 8.300(10.65) | 200 | 5.400(16.40) | 140 | 7.560(11.70) | 140 | Orthochevkinite | (Ce,La,Ca,Na,Th)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22 |
| 8.304(10.64) | 200 | 7.746(11.41) | 140 | 21.994(4.01) | 100 | IMA2009-031 | NaAl6(SO4)6(SO3F)F6·36H2O |
| 8.306(10.64) | 200 | 7.518(11.76) | 160 | 4.238(20.94) | 140 | Nickelboussingaultite | (NH4)2(Ni,Mg)(SO4)2·6(H2O) |
| 8.326(10.62) | 200 | 6.358(13.92) | 198 | 7.342(12.04) | 154 | Sreinite | Pb2(UO2)11(BiO)8(PO4)5(OH)19·6(H2O) |
| 8.360(10.57) | 200 | 7.480(11.82) | 180 | 4.500(19.71) | 160 | Evenkite | (CH3)2(CH2)22 |
| 8.360(10.57) | 200 | 5.380(16.46) | 60 | 4.904(18.07) | 50 | Goethite | Fe+++O(OH) |
| 8.360(10.57) | 200 | 4.700(18.87) | 180 | 2.868(31.16) | 100 | Auroantimonate | AuSbO3 |
| 8.370(10.56) | 200 | 6.392(13.84) | 160 | 9.040(9.78) | 140 | Asselbornite | (Pb,Ba)(UO2)6(BiO)4(AsO4)2(OH)12·3(H2O) |
| 8.374(10.56) | 200 | 25.020(3.53) | 140 | 12.550(7.04) | 130 | Vertumnite | Ca8Al4(Al4Si5)O12[(OH)36·10(H2O) |
| 8.380(10.55) | 200 | 6.354(13.93) | 180 | 6.948(12.73) | 160 | Tienshanite | BaNa2MnTiB2Si6O20 |
| 8.400(10.52) | 200 | 5.020(17.65) | 180 | 5.440(16.28) | 180 | Swedenborgite | NaBe4SbO7 |
| 8.400(10.52) | 200 | 6.514(13.58) | 180 | 5.504(16.09) | 170 | Eulytite | Bi4(SiO4)3 |
| 8.400(10.52) | 200 | 5.340(16.59) | 140 | 5.620(15.76) | 140 | Groutite | Mn+++O(OH) |
| 8.400(10.52) | 200 | 7.580(11.66) | 110 | 8.260(10.70) | 110 | Mohrite | (NH4)2Fe++(SO4)2·6(H2O) |
| 8.400(10.52) | 200 | 10.600(8.33) | 120 | 5.700(15.53) | 50 | Morenosite | NiSO4·7(H2O) |
| 8.400(10.52) | 200 | 9.960(8.87) | 180 | 9.380(9.42) | 160 | Stanleyite | (V++++O)SO4·6(H2O) |
| 8.400(10.52) | 200 | 25.380(3.48) | 200 | 5.748(15.40) | 140 | Stratlingite | Ca2Al[(OH)6AlSiO2-3(OH)4-3]·2,5(H2O) |
| 8.402(10.52) | 200 | 33.574(2.63) | 200 | 16.788(5.26) | 160 | Tlalocite | Cu10Zn6(Te++++O3)(Te++++++O4)2Cl(OH)25·27(H2O) |
| 8.406(10.52) | 200 | 7.554(11.71) | 120 | 4.966(17.85) | 60 | Parajamesonite | Pb4FeSb6S14 |
| 8.408(10.51) | 200 | 6.626(13.35) | 120 | 5.498(16.11) | 80 | Vaughanite | TlHgSb4S7 |
| 8.420(10.50) | 200 | 10.720(8.24) | 160 | 8.360(10.57) | 100 | Goslarite | ZnSO4·7(H2O) |
| 8.420(10.50) | 200 | 5.746(15.41) | 198 | 5.928(14.93) | 176 | Ferronordite-(La) | Na3Sr(La,Ce)FeSi6O17 |
| 8.420(10.50) | 200 | 5.354(16.54) | 50 | 10.700(8.26) | 50 | Epsomite | MgSO4·7(H2O) |
| 8.420(10.50) | 200 | 6.040(14.65) | 180 | 15.000(5.89) | 180 | Churchite-(Y) | YPO4·2(H2O) |
| 8.420(10.50) | 200 | 16.140(5.47) | 200 | 5.360(16.53) | 180 | Zunyite | Al13Si5O20(OH,F)18Cl |
| 8.420(10.50) | 200 | 20.200(4.37) | 200 | 4.020(22.09) | 120 | Carbonatecyanotrichite | Cu++4Al2(CO3,SO4)(OH)12·2(H2O) |
| 8.430(10.49) | 200 | 5.930(14.93) | 166 | 6.652(13.30) | 134 | Manganonordite-(Ce) | Na3SrCeMn++Si6O17 |
| 8.432(10.48) | 200 | 5.928(14.93) | 146 | 6.650(13.30) | 134 | Ferronordite-(Ce) | Na3SrCeFe++Si6O17 |
| 8.440(10.47) | 200 | 4.170(21.29) | 190 | 10.220(8.64) | 170 | Boussingaultite | (NH4)2Mg(SO4)2·6(H2O) |
| 8.440(10.47) | 200 | 16.900(5.22) | 180 | 6.740(13.12) | 140 | Leucosphenite | Na4BaTi2O2[B2Si10O28] |
| 8.446(10.47) | 200 | 8.414(10.51) | 160 | 7.294(12.12) | 118 | Tamarugite | NaAl(SO4)2·6(H2O) |
| 8.480(10.42) | 200 | 5.240(16.91) | 160 | 6.620(13.36) | 120 | Rodalquilarite | H3Fe+++2(Te++++O3)4Cl |
| 8.480(10.42) | 200 | 7.300(12.11) | 120 | 9.660(9.15) | 80 | Misenite | K8H8(SO4)7 (?) |
| 8.480(10.42) | 200 | 5.386(16.44) | 160 | 6.218(14.23) | 140 | Foggite | CaAl(PO4)(OH)2·(H2O) |
| 8.494(10.41) | 200 | 8.358(10.58) | 140 | 5.460(16.22) | 120 | Khademite | Al(SO4)F·5(H2O) |
| 8.500(10.40) | 200 | 5.744(15.41) | 180 | 14.060(6.28) | 164 | Ojuelaite | ZnFe+++2(AsO4)2(OH)2·4(H2O) |
| 8.500(10.40) | 200 | 6.120(14.46) | 160 | 7.280(12.15) | 160 | Karasugite | SrCaAl(F,OH)7 |
| 8.500(10.40) | 200 | 9.140(9.67) | 80 | 5.928(14.93) | 40 | Retgersite | NiSO4·6(H2O) |
| 8.514(10.38) | 200 | 11.202(7.89) | 120 | 5.838(15.16) | 110 | Struvite | (NH4)MgPO4·6(H2O) |
| 8.516(10.38) | 200 | 15.180(5.82) | 98 | 8.120(10.89) | 96 | Mangazeite | Al2(SO4)(OH)4·3H2O |
| 8.520(10.37) | 200 | 6.670(13.26) | 84 | 10.906(8.10) | 84 | Riomarinaite | Bi(OH)SO4·H2O |
| 8.520(10.37) | 200 | 8.940(9.89) | 200 | 8.240(10.73) | 160 | Chaoite | C |
| 8.520(10.37) | 200 | 8.380(10.55) | 120 | 7.820(11.31) | 100 | Rostite | AlSO4(OH,F)·5(H2O) |
| 8.520(10.37) | 200 | 6.540(13.53) | 180 | 8.280(10.68) | 160 | Struvite-(K) | KMg(PO4)·6(H2O) |
| 8.520(10.37) | 200 | 5.810(15.24) | 180 | 4.096(21.68) | 160 | Calcioancylite-(Nd) | CaNd(CO3)2(OH)·(H2O) |
| 8.540(10.35) | 200 | 8.078(10.94) | 300 | 4.744(18.69) | 140 | Khatyrkite | (Cu,Zn)Al2 |
| 8.540(10.35) | 200 | 5.880(15.05) | 170 | 6.000(14.75) | 170 | Dumontite | Pb2(UO2)3O2(PO4)2·5(H2O) |
| 8.540(10.35) | 200 | 17.200(5.13) | 200 | 3.996(22.23) | 190 | Kyrgyzstanite | ZnAl4(SO4)(OH)12·3(H2O) |
| 8.552(10.34) | 200 | 10.320(8.56) | 180 | 11.240(7.86) | 100 | Camerolaite | Cu4Al2[HSbO4,SO4](OH)10(CO3)·2(H2O) |
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