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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 |
| 9.000(9.82) | 200 | 7.940(11.13) | 160 | 11.220(7.87) | 140 | Magnesioaubertite | (Mg,Cu)Al(SO4)2Cl·14(H2O) |
| 9.000(9.82) | 200 | 6.400(13.83) | 160 | 11.300(7.82) | 160 | Scorodite | Fe+++AsO4·2(H2O) |
| 9.000(9.82) | 200 | 8.494(10.41) | 138 | 7.904(11.19) | 116 | Aubertite | CuAl(SO4)2Cl·14(H2O) |
| 9.000(9.82) | 200 | 14.600(6.05) | 200 | 27.800(3.18) | 200 | Yakhontovite | (Ca,K)0.5(Cu,Fe+++,Mg)2Si4O10(OH)2·3(H2O) |
| 9.040(9.78) | 200 | 18.080(4.88) | 120 | 5.540(15.98) | 70 | Synchysite-(Nd) | CaNd(CO3)2F |
| 9.056(9.76) | 200 | 4.960(17.87) | 180 | 5.456(16.23) | 180 | Carboirite-III | Fe++Al2GeO5(OH)2 |
| 9.056(9.76) | 200 | 4.960(17.87) | 180 | 5.456(16.23) | 180 | Carboirite-VIII | Fe++(Al,Ge)2 O[(Ge,Si)O4](OH)2 |
| 9.060(9.75) | 200 | 6.480(13.65) | 180 | 5.224(16.96) | 160 | Ferrisurite | (Pb,Cu)2-3(CO3)1.5-2(OH,F)0.5-1[(Fe,Al)2Si4O10(OH)2]·n(H2O) |
| 9.060(9.75) | 200 | 30.000(2.94) | 140 | 9.940(8.89) | 90 | Tosudite | Na0,5(Al,Mg)6(Si,Al)8O18(OH)12·5(H2O) |
| 9.060(9.75) | 200 | 11.180(7.90) | 100 | 14.380(6.14) | 100 | Goosecreekite | CaAl2Si6O16·5(H2O) |
| 9.060(9.75) | 200 | 11.400(7.75) | 140 | 7.748(11.41) | 120 | Yanomamite | In(AsO4)·2(H2O) |
| 9.080(9.73) | 200 | 7.920(11.16) | 90 | 8.034(11.00) | 90 | Konyaite | Na2Mg(SO4)2·5(H2O) |
| 9.080(9.73) | 200 | 3.036(29.39) | 160 | 19.200(4.60) | 160 | Ferripyrophyllite | Fe+++2Si4O10(OH)2 |
| 9.100(9.71) | 200 | 4.560(19.45) | 160 | 6.300(14.05) | 160 | Gearksutite | CaAl(OH,F)5·(H2O) |
| 9.140(9.67) | 200 | 6.720(13.16) | 180 | 12.560(7.03) | 180 | Soddyite | (UO2)2SiO4·2(H2O) |
| 9.140(9.67) | 200 | 9.020(9.80) | 180 | 7.440(11.89) | 120 | Arhbarite | Cu2Mg(AsO4)(OH)3 |
| 9.160(9.65) | 200 | 6.760(13.09) | 140 | 5.760(15.37) | 100 | Gortdrumite | (Cu,Fe)6Hg2S5 |
| 9.160(9.65) | 200 | 7.780(11.36) | 180 | 15.060(5.86) | 180 | Tengerite-(Y) | Y2(CO3)3·2-3(H2O) |
| 9.160(9.65) | 200 | 7.970(11.09) | 160 | 2.410(37.28) | 140 | Mopungite | NaSb(OH)6 |
| 9.180(9.63) | 200 | 7.444(11.88) | 180 | 5.056(17.53) | 160 | Lenoblite | V2O4·2(H2O) |
| 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 | 4.960(17.87) | 120 | 5.320(16.65) | 120 | Woodruffite | (Zn,Mn++)2Mn++++5O12·4(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) |
| 9.330(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 |
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