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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 |
| 13.234(6.67) | 200 | 7.424(11.91) | 160 | 8.232(10.74) | 160 | Anorthominasragrite | V++++O(SO4)(H2O)5 |
| 13.248(6.67) | 200 | 5.844(15.15) | 144 | 9.636(9.17) | 122 | Arupite | (Ni,Fe++)3(PO4)2·8(H2O) |
| 13.320(6.63) | 200 | 5.440(16.28) | 140 | 6.280(14.09) | 100 | Hydrozincite | Zn5(CO3)2(OH)6 |
| 13.340(6.62) | 200 | 5.382(16.46) | 140 | 5.896(15.01) | 140 | Pakhomovskyite | Co3(PO4)2·8(H2O) |
| 13.360(6.61) | 200 | 11.820(7.47) | 160 | 6.012(14.72) | 140 | Tinsleyite | KAl2(PO4)2(OH)·2(H2O) |
| 13.384(6.60) | 200 | 5.424(16.33) | 100 | 6.010(14.73) | 100 | Hornesite | Mg3(AsO4)2·8(H2O) |
| 13.400(6.59) | 200 | 17.220(5.13) | 160 | 8.320(10.62) | 120 | Bijvoetite-(Y) | (Y,REE)8(H2O)25(UO2)16O8(OH)8(CO3)16·14(H2O) |
| 13.400(6.59) | 200 | 7.360(12.01) | 160 | 7.440(11.89) | 160 | Gebhardite | Pb8(As+++2O5)2OCl6 |
| 13.406(6.59) | 200 | 6.448(13.72) | 70 | 15.908(5.55) | 54 | Kottigite | Zn3(AsO4)2·8(H2O) |
| 13.420(6.58) | 200 | 6.712(13.18) | 184 | 10.720(8.24) | 170 | Hungchaoite | MgB4O5(OH)4·7(H2O) |
| 13.420(6.58) | 200 | 9.720(9.09) | 80 | 17.180(5.14) | 80 | Metavivianite | (Fe++3-x,Fe+++x)(PO4)2(OH)x·8-x(H2O), x=0.5 |
| 13.420(6.58) | 200 | 5.398(16.41) | 140 | 5.912(14.97) | 120 | Baricite | (Mg,Fe++)3(PO4)2·8(H2O) |
| 13.440(6.57) | 200 | 6.006(14.74) | 94 | 6.454(13.71) | 84 | Erythrite | Co3(AsO4)2·8(H2O) |
| 13.460(6.56) | 200 | 7.440(11.89) | 180 | 8.320(10.62) | 120 | Astrocyanite-(Ce) | Cu2(Ce,Nd,La)2(UO2)(CO3)5(OH)2·1.5(H2O) |
| 13.500(6.54) | 200 | 6.050(14.63) | 100 | 16.114(5.48) | 60 | Parasymplesite | Fe++3(AsO4)2·8(H2O) |
| 13.560(6.51) | 200 | 5.220(16.97) | 160 | 7.360(12.01) | 140 | Aurichalcite | (Zn,Cu)5(CO3)2(OH)6 |
| 13.580(6.50) | 200 | 6.780(13.05) | 62 | 10.360(8.53) | 18 | Nobleite | CaB6O9(OH)2·3(H2O) |
| 13.580(6.50) | 200 | 6.122(14.46) | 140 | 11.980(7.37) | 140 | Leucophosphite | KFe+++2(PO4)2(OH)·2(H2O) |
| 13.580(6.50) | 200 | 11.980(7.37) | 180 | 6.100(14.51) | 90 | Spheniscidite | (NH4,K)(Fe+++,Al)2(PO4)2(OH)·2(H2O) |
| 13.580(6.50) | 200 | 15.000(5.89) | 32 | 17.940(4.92) | 32 | Symplesite | Fe++3(AsO4)2·8(H2O) |
| 13.600(6.49) | 200 | 5.420(16.34) | 134 | 5.940(14.90) | 134 | Vivianite | Fe++3(PO4)2·8(H2O) |
| 13.620(6.48) | 200 | 4.478(19.81) | 160 | 10.166(8.69) | 160 | Paraotwayite | Ni(OH)2-x(SO4,CO3)0.5x x=.5 |
| 13.620(6.48) | 200 | 10.800(8.18) | 180 | 17.360(5.09) | 180 | Liebigite | Ca2(UO2)(CO3)3·11(H2O) |
| 13.620(6.48) | 200 | 5.698(15.54) | 180 | 5.966(14.84) | 160 | Rouseite | Pb2Mn++(As+++O3)2·2(H2O) |
| 13.620(6.48) | 200 | 6.800(13.01) | 180 | 5.900(15.00) | 160 | Boltwoodite | HK(UO2)(SiO4)·1.5(H2O) |
| 13.660(6.47) | 200 | 8.660(10.21) | 196 | 5.408(16.38) | 102 | Gravegliaite | Mn++(SO3)·3(H2O) |
| 13.680(6.46) | 200 | 4.438(19.99) | 60 | 8.020(11.02) | 40 | Ernienickelite | NiMn++++3O7·3(H2O) |
| 13.680(6.46) | 200 | 11.340(7.79) | 160 | 5.474(16.18) | 120 | Otwayite | Ni2(CO3)(OH)2·(H2O) |
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