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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 |
| 9.200(9.61) | 200 | 6.600(13.40) | 154 | 6.400(13.83) | 152 | Sborgite | NaB5O6(OH)4·3(H2O) |
| 9.200(9.61) | 200 | 5.800(15.26) | 160 | 3.740(23.77) | 60 | Holfertite | U++++++1.75TiCa0.25 O7.5(H2O)3 |
| 9.200(9.61) | 200 | 6.420(13.78) | 180 | 8.580(10.30) | 160 | Rutherfordine | UO2(CO3) |
| 9.220(9.58) | 200 | 16.000(5.52) | 180 | 4.816(18.41) | 160 | Pharmacosiderite | KFe+++4(AsO4)3(OH)4·6-7(H2O) |
| 9.226(9.58) | 200 | 6.780(13.05) | 120 | 9.160(9.65) | 100 | Gilmarite | Cu3(AsO4)(OH)3 |
| 9.240(9.56) | 200 | 7.660(11.54) | 180 | 6.520(13.57) | 170 | Ohmilite | Sr3(Ti,Fe+++)(Si2O6)2(O,OH)·2-3(H2O) |
| 9.240(9.56) | 200 | 5.280(16.78) | 100 | 4.720(18.78) | 40 | Feitknechtite | beta-Mn+++O(OH) |
| 9.240(9.56) | 11.540(7.65) | 11.640(7.59) | Rubicline | (Rb,K)AlSi3O8 | |||
| 9.254(9.55) | 200 | 5.346(16.57) | 120 | 6.878(12.86) | 80 | Xocomecatlite | Cu3Te++++++O4(OH)4 |
| 9.272(9.53) | 200 | 6.784(13.04) | 140 | 9.892(8.93) | 100 | Brandholzite | Mg[Sb(OH)6]2·6(H2O) |
| 9.278(9.52) | 200 | 16.044(5.50) | 184 | 9.934(8.89) | 136 | Cejkaite | Na4(UO2)(CO3)3 |
| 9.280(9.52) | 200 | 9.580(9.22) | 200 | 4.540(19.54) | 100 | Felsobanyaite | Al4(SO4)(OH)10·5(H2O) |
| 9.320(9.48) | 200 | 5.844(15.15) | 160 | 6.536(13.54) | 80 | Brewsterite-Sr | (Sr,Ba)Al4Si12O32·10(H2O) |
| 9.320(9.48) | 200 | 5.540(15.98) | 160 | 9.120(9.69) | 160 | Mounanaite | PbFe+++2(VO4)2(OH)2 |
| 9.320(9.48) | 200 | 5.844(15.15) | 160 | 6.536(13.54) | 80 | Brewsterite-Ba | (Ba,Sr)Al2Si6O16·5(H2O) |
| 9.320(9.48) | 200 | 4.960(17.87) | 120 | 5.320(16.65) | 120 | Woodruffite | (Zn,Mn++)2Mn++++5O12·4(H2O) |
| 9.330(9.47) | 200 | 6.620(13.36) | 180 | 4.428(20.04) | 160 | Akatoreite | (Mn++,Fe++)9Al2Si8O24(OH)8 |
| 9.340(9.46) | 200 | 11.000(8.03) | 200 | 10.200(8.66) | 160 | Pascoite | Ca3V10O28·17(H2O) |
| 9.360(9.44) | 200 | 6.760(13.09) | 180 | 18.780(4.70) | 140 | Kratochvilite | (C6H4)2CH2 |
| 9.374(9.43) | 200 | 8.674(10.19) | 160 | 20.240(4.36) | 140 | Metavauxite | Fe++Al2(PO4)2(OH)2·8(H2O) |
| 9.376(9.42) | 200 | 6.546(13.52) | 176 | 5.730(15.45) | 140 | Thometzekite | Pb(Cu,Zn)2(AsO4)2·2(H2O) |
| 9.378(9.42) | 200 | 4.894(18.11) | 150 | 4.688(18.91) | 90 | Nitrobarite | Ba(NO3)2 |
| 9.380(9.42) | 60 | 8.560(10.33) | 40 | 5.962(14.85) | 200 | Pautovite | CsFe2S3 |
| 9.398(9.40) | 200 | 4.698(18.87) | 140 | 5.754(15.39) | 130 | Hieratite | K2SiF6 |
| 9.398(9.40) | 200 | 6.644(13.32) | 100 | 5.730(15.45) | 80 | Orthominasragrite | VO(SO4)·5(H2O) |
| 9.400(9.40) | 200 | 4.900(18.09) | 100 | 7.660(11.54) | 100 | Doloresite | H8V++++6O16 |
| 9.408(9.39) | 200 | 6.686(13.23) | 94 | 7.078(12.50) | 90 | Lunijianlaite | LiAl6(Si7Al)O20(OH)10 |
| 9.428(9.37) | 200 | 6.286(14.08) | 140 | 18.856(4.68) | 136 | Lithiophorite | (Al,Li)Mn++++O2(OH)2 |
| 9.440(9.36) | 200 | 6.104(14.50) | 160 | 12.882(6.86) | 140 | Kinoite | Ca2Cu2Si3O8(OH)4 |
| 9.450(9.35) | 200 | 5.998(14.76) | 150 | 6.172(14.34) | 150 | Wardite | NaAl3(PO4)2(OH)4·2(H2O) |
| 9.460(9.34) | 200 | 7.420(11.92) | 170 | 7.980(11.08) | 120 | Chalcanthite | CuSO4·5(H2O) |
| 9.460(9.34) | 200 | 9.600(9.20) | 200 | 9.680(9.13) | 200 | Millisite | (Na,K)CaAl6(PO4)4(OH)9·3(H2O) |
| 9.468(9.33) | 200 | 7.882(11.22) | 180 | 3.844(23.12) | 100 | Jacquesdietrichite | Cu2[BO(OH)2](OH)3 |
| 9.480(9.32) | 140 | 3.638(24.45) | 140 | 4.500(19.71) | 140 | Fullerite | C60 |
| 9.516(9.29) | 200 | 5.410(16.37) | 190 | 8.454(10.46) | 130 | Metavariscite | AlPO4·2(H2O) |
| 9.520(9.28) | 15.420(5.73) | 22.000(4.01) | Karpinskite | (Mg,Ni)2Si2O5(OH)2 (?) | |||
| 9.520(9.28) | 200 | 6.180(14.32) | 160 | 18.180(4.86) | 120 | Kleemanite | ZnAl2(PO4)2(OH)2·3(H2O) |
| 9.540(9.26) | 200 | 12.780(6.91) | 160 | 6.360(13.91) | 140 | Mangangordonite | (Mn++,Fe++,Mg)Al2(PO4)2(OH)2·8(H2O) |
| 9.560(9.24) | 200 | 4.520(19.62) | 80 | 4.780(18.55) | 80 | Nordstrandite | Al(OH)3 |
| 9.560(9.24) | 200 | 7.496(11.80) | 160 | 8.144(10.85) | 160 | Derriksite | Cu4(UO2)(SeO3)2(OH)6 |
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