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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 |
4.192(21.18) | 200 | 3.330(26.75) | 160 | 12.220(7.23) | 160 | Edgarite | FeNb2S6 |
4.196(21.16) | 200 | 4.432(20.02) | 52 | 4.764(18.61) | 48 | Hexamolybdenum | (Mo,Ru,Fe,Ir,Os) |
4.200(21.14) | 200 | 4.306(20.61) | 160 | 3.630(24.50) | 140 | Tongxinite | Cu2Zn |
4.210(21.08) | 200 | 4.452(19.93) | 68 | 4.776(18.56) | 64 | Rhenium | Re |
4.212(21.07) | 200 | 2.978(29.98) | 104 | 2.432(36.93) | 24 | Periclase | MgO |
4.230(20.98) | 200 | 4.710(18.83) | 160 | 2.702(33.13) | 100 | Stillwaterite | Pd8As3 |
4.232(20.97) | 80 | 4.650(19.07) | 80 | 8.746(10.11) | 80 | Tischendorfite | Pd8Hg3Se9 |
4.236(20.95) | 200 | 6.912(12.80) | 200 | 3.608(24.65) | 120 | Cameronite | AgCu7Te10 |
4.238(20.94) | 200 | 4.628(19.16) | 200 | 3.982(22.31) | 140 | Oregonite | Ni2FeAs2 |
4.240(20.93) | 200 | 4.898(18.10) | 144 | 2.999(29.77) | 90 | Osbornite | TiN |
4.248(20.89) | 200 | 4.460(19.89) | 194 | 3.822(23.25) | 88 | IMA2007-036 | TiFeSi2 |
4.260(20.83) | 200 | 4.680(18.95) | 120 | 2.820(31.70) | 80 | Arsenopalladinite | Pd8(As,Sb)3 |
4.260(20.83) | 200 | 15.220(5.80) | 200 | 5.940(14.90) | 180 | Uralborite | CaB2O2(OH)4 |
4.260(20.83) | 200 | 2.448(36.68) | 160 | 2.118(42.65) | 80 | Bortnikovite | Pd4Cu3Zn |
4.262(20.82) | 200 | 5.750(15.40) | 200 | 6.780(13.05) | 200 | Crichtonite | (Sr,La,Ce,Y)(Ti,Fe+++,Mn)21O38 |
4.268(20.80) | 200 | 4.664(19.01) | 200 | 6.020(14.70) | 200 | Nabiasite | BaMn9[(V,As)O4]6(OH)2 |
4.276(20.76) | 200 | 3.721(23.89) | 140 | 2.610(34.33) | 120 | Nielsenite | PdCu3 |
4.280(20.74) | 200 | 3.240(27.51) | 180 | 6.480(13.65) | 140 | Sinhalite | MgAlBO4 |
4.280(20.74) | 200 | 4.420(20.07) | 180 | 5.200(17.04) | 140 | Palladoarsenide | Pd2As |
4.288(20.70) | 200 | 2.162(41.74) | 160 | 3.058(29.18) | 140 | Hongquiite | TiO |
4.292(20.68) | 200 | 3.036(29.39) | 160 | 4.952(17.90) | 140 | Wustite | FeO |
4.300(20.64) | 200 | 4.580(19.36) | 110 | 4.720(18.78) | 80 | Taimyrite | (Pd,Cu,Pt)3Sn |
4.302(20.63) | 200 | 4.712(18.82) | 200 | 3.726(23.86) | 160 | Haxonite | (Fe,Ni)23C6 |
4.312(20.58) | 200 | 6.086(14.54) | 160 | 14.060(6.28) | 120 | Henryite | Cu4Ag3Te4 |
4.320(20.54) | 200 | 7.860(11.25) | 150 | 5.560(15.93) | 126 | Antarcticite | CaCl2ยท6(H2O) |
4.320(20.54) | 200 | 5.100(17.37) | 160 | 6.060(14.61) | 140 | Stutzite | Ag5-xTe3,(x=0.24-0.36) |
4.332(20.48) | 200 | 6.774(13.06) | 200 | 3.850(23.08) | 160 | Stenonite | (Sr,Ba,Na)2Al(CO3)F5 |
4.334(20.48) | 200 | 4.712(18.82) | 180 | 1.720(53.21) | 160 | Isomertieite | Pd11Sb2As2 |
4.340(20.45) | 200 | 3.990(22.26) | 140 | 3.910(22.72) | 140 | Nickelphosphide | (Ni,Fe)3P |
4.344(20.43) | 200 | 5.416(16.35) | 200 | 5.296(16.73) | 180 | Crawfordite | Na3Sr(PO4)(CO3) |
4.352(20.39) | 200 | 5.088(17.42) | 180 | 6.292(14.06) | 180 | Ungarettiite | NaNa2(Mn++2Mn+++3)Si8O22O2 |
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