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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 |
| 9.900(8.92) | 200 | 6.660(13.28) | 160 | 11.160(7.92) | 160 | Chadwickite | (UO2)H(AsO3) |
| 9.900(8.92) | 200 | 9.960(8.87) | 170 | 7.540(11.73) | 160 | Letovicite | (NH4)3H(SO4)2 |
| 9.920(8.91) | 200 | 21.200(4.16) | 180 | 19.060(4.63) | 170 | Mcauslanite | HFe++3Al2(PO4)4F·18(H2O) |
| 9.920(8.91) | 200 | 14.500(6.09) | 160 | 5.120(17.31) | 120 | Turanite | Cu5(VO4)2(OH)4 |
| 9.940(8.89) | 200 | 6.300(14.05) | 160 | 7.180(12.32) | 120 | Butlerite | Fe+++(SO4)(OH)·2(H2O) |
| 9.940(8.89) | 200 | 6.400(13.83) | 160 | 8.280(10.68) | 120 | Brassite | Mg(AsO3OH)·4(H2O) |
| 9.960(8.87) | 200 | 6.520(13.57) | 170 | 6.100(14.51) | 150 | Moskvinite-(Y) | Na2K(Y,REE) [Si6O15] |
| 10.000(8.84) | 200 | 8.480(10.42) | 160 | 12.580(7.02) | 120 | Cervelleite | Ag4TeS |
| 10.020(8.82) | 200 | 5.908(14.98) | 70 | 7.064(12.52) | 50 | Metamunirite | Na2[V+++++2O6] or NaVO3 |
| 10.060(8.78) | 200 | 4.620(19.20) | 160 | 5.940(14.90) | 160 | Mackinawite | (Fe,Ni)S0.9 |
| 10.060(8.78) | 200 | 7.100(12.46) | 180 | 5.018(17.66) | 150 | Kamiokite | Fe2Mo3O8 |
| 10.060(8.78) | 200 | 11.120(7.94) | 200 | 18.920(4.67) | 200 | Chabazite-Na | (Na2,K2,Ca,Mg)[Al2Si4O12]·6(H2O) |
| 10.060(8.78) | 200 | 11.120(7.94) | 200 | 18.920(4.67) | 200 | Chabazite-K | (K2,Ca,Na2,Mg)[Al2Si4O12]·6(H2O) |
| 10.080(8.77) | 200 | 11.380(7.76) | 140 | 6.710(13.18) | 60 | Ferrocarpholite | (Fe++,Mg)Al2Si2O6(OH)4 |
| 10.080(8.77) | 200 | 10.340(8.54) | 200 | 10.960(8.06) | 160 | Grandidierite | (Mg,Fe++)Al3(BO4)(SiO4)O |
| 10.082(8.76) | 200 | 5.036(17.60) | 154 | 5.894(15.02) | 88 | Melanothallite | Cu2OCl2 |
| 10.098(8.75) | 200 | 6.010(14.73) | 130 | 11.802(7.48) | 118 | Galgenbergite-(Ce) | Ca(REE)2(CO3)4·(H2O) |
| 10.100(8.75) | 200 | 5.480(16.16) | 160 | 5.980(14.80) | 160 | Brazilianite | NaAl3(PO4)2(OH)4 |
| 10.100(8.75) | 200 | 11.140(7.93) | 150 | 9.880(8.94) | 130 | Phosphammite | (NH4)2HPO4 |
| 10.100(8.75) | 200 | 10.420(8.48) | 180 | 4.360(20.35) | 150 | Ominelite | (Fe++,Mg)Al3BSiO9 |
| 10.120(8.73) | 200 | 11.060(7.99) | 200 | 14.000(6.31) | 120 | Dinite | C20H36 |
| 10.120(8.73) | 200 | 6.120(14.46) | 160 | 6.240(14.18) | 140 | Natrojarosite | NaFe+++3(SO4)2(OH)6 |
| 10.136(8.72) | 200 | 8.108(10.90) | 170 | 4.514(19.65) | 150 | Bigcreekite | BaSi2O5·4(H2O) |
| 10.136(8.72) | 200 | 7.604(11.63) | 188 | 6.066(14.59) | 178 | Lecontite | (NH4,K)Na(SO4)·2(H2O) |
| 10.140(8.71) | 200 | 4.900(18.09) | 140 | 17.860(4.94) | 140 | Zaratite | Ni3(CO3)(OH)4·4(H2O) |
| 10.140(8.71) | 200 | 8.240(10.73) | 160 | 7.180(12.32) | 40 | Cupalite | (Cu,Zn)Al |
| 10.162(8.69) | 200 | 19.640(4.50) | 114 | 5.254(16.86) | 78 | IMA2008-069 | Na3Y(CO3)3·6H2O |
| 10.180(8.68) | 200 | 5.940(14.90) | 114 | 18.080(4.88) | 106 | Makatite | Na2Si4O8(OH)2·4(H2O) |
| 10.200(8.66) | 200 | 6.260(14.14) | 180 | 6.180(14.32) | 130 | Hydroniumjarosite | (H3O)Fe+++3(SO4)2(OH)6 |
| 10.228(8.64) | 200 | 5.118(17.31) | 182 | 4.338(20.46) | 114 | Chestermanite | Mg2(Fe+++,Mg,Al,Sb+++++)BO3O2 |
| 10.230(8.64) | 200 | 24.200(3.65) | 112 | 5.234(16.93) | 64 | Montgomeryite | Ca4MgAl4(PO4)6(OH)4·12(H2O) |
| 10.240(8.63) | 200 | 14.260(6.19) | 180 | 6.056(14.61) | 160 | Coyoteite | NaFe3S5·2(H2O) |
| 10.240(8.63) | 200 | 5.030(17.62) | 140 | 5.094(17.39) | 140 | Ludwigite | Mg2Fe+++BO5 |
| 10.270(8.60) | 200 | 7.814(11.31) | 140 | 10.862(8.13) | 120 | Minasragrite | VO(SO4)·5(H2O) |
| 10.280(8.59) | 200 | 7.160(12.35) | 140 | 15.440(5.72) | 140 | Nitrocalcite | Ca(NO3)2·4(H2O) |
| 10.280(8.59) | 200 | 11.120(7.94) | 182 | 7.500(11.79) | 156 | Pararealgar | AsS |
| 10.280(8.59) | 56 | 9.100(9.71) | 86 | 7.342(12.04) | 64 | Qaqarssukite-(Ce) | Ba(Ce,REE)(CO3)2F |
| 10.280(8.59) | 200 | 20.740(4.26) | 200 | 16.580(5.33) | 180 | Mooreite | (Mg,Zn,Mn)15(SO4)2(OH)26·8(H2O) |
| 10.280(8.59) | 200 | 6.800(13.01) | 160 | 9.060(9.75) | 120 | Lautenthalite | PbCu++4(OH)6(SO4)2·3(H2O) |
| 10.300(8.58) | 200 | 10.940(8.08) | 120 | 7.840(11.28) | 100 | Patronite | VS4 |
| 10.300(8.58) | 200 | 5.248(16.88) | 120 | 24.560(3.59) | 100 | Kingsmountite | (Ca,Mn++)4(Fe++,Mn++)Al4(PO4)6(OH)4·12(H2O) |
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