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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 |
| 3.760(23.64) | 200 | 3.949(22.50) | 140 | 4.806(18.45) | 140 | Chalcocite | Cu2S |
| 3.772(23.57) | 200 | 5.340(16.59) | 200 | 15.140(5.83) | 200 | Borcarite | Ca4MgB4O6(OH)6(CO3)2 |
| 3.774(23.55) | 200 | 9.794(9.02) | 200 | 4.684(18.93) | 176 | Zincalstibite | Zn2AlSb(OH)12 |
| 3.780(23.52) | 200 | 6.560(13.49) | 180 | 5.080(17.44) | 120 | Eglestonite | Hg6Cl3O(OH) (?) |
| 3.780(23.52) | 200 | 3.660(24.30) | 180 | 4.000(22.21) | 180 | Synchysite-(Y) | CaY(CO3)2F |
| 3.780(23.52) | 200 | 7.400(11.95) | 160 | 6.360(13.91) | 120 | Gerasimovskite | (Mn,Ca)(Nb,Ti)5O12·9(H2O) (?) |
| 3.784(23.49) | 200 | 7.580(11.66) | 200 | 3.740(23.77) | 160 | Osarsite | (Os,Ru)AsS |
| 3.784(23.49) | 200 | 3.960(22.43) | 200 | 6.160(14.37) | 200 | Hypercinnabar | HgS |
| 3.798(23.40) | 200 | 6.122(14.46) | 110 | 5.534(16.00) | 70 | Yarrowite | Cu9S8 |
| 3.800(23.39) | 200 | 5.000(17.72) | 200 | 5.200(17.04) | 200 | Hastite | CoSe2 |
| 3.804(23.37) | 200 | 6.670(13.26) | 160 | 5.806(15.25) | 150 | Reinhardbraunsite | Ca5(SiO4)2(OH,F)2 |
| 3.808(23.34) | 200 | 3.318(26.85) | 126 | 6.068(14.59) | 124 | Kumtyubeite | Ca5(SiO4)2F2 |
| 3.808(23.34) | 200 | 6.220(14.23) | 160 | 3.250(27.42) | 80 | Chatkalite | Cu6Fe++Sn2S8 |
| 3.820(23.27) | 200 | 5.456(16.23) | 148 | 6.082(14.55) | 130 | Chegemite | Ca7(SiO4)3(OH)2 |
| 3.820(23.27) | 200 | 4.422(20.06) | 200 | 9.040(9.78) | 200 | Hongshiite | PtCu |
| 3.820(23.27) | 200 | 6.152(14.39) | 170 | 5.554(15.94) | 60 | Spionkopite | Cu1.4S |
| 3.830(23.20) | 200 | 5.260(16.84) | 200 | 5.340(16.59) | 160 | Omeiite | (Os,Ru)As2 |
| 3.832(23.19) | 200 | 4.620(19.20) | 200 | 4.094(21.69) | 198 | Ekaterinite | Ca2B4O7(Cl,OH)2·2(H2O) |
| 3.836(23.17) | 200 | 3.954(22.47) | 200 | 4.220(21.03) | 80 | Orcelite | Ni5-xAs2 (x=0.23) |
| 3.836(23.17) | 200 | 4.348(20.41) | 200 | 6.660(13.28) | 200 | Genthelvite | Zn4Be3(SiO4)3S |
| 3.836(23.17) | 200 | 5.420(16.34) | 100 | 7.660(11.54) | 70 | Neighborite | NaMgF3 |
| 3.840(23.14) | 200 | 2.190(41.19) | 180 | 3.002(29.74) | 180 | Anduoite | (Ru,Os)As2 |
| 3.848(23.09) | 200 | 3.954(22.47) | 200 | 4.300(20.64) | 130 | Perryite | (Ni,Fe)8(Si,P)3 |
| 3.850(23.08) | 200 | 6.290(14.07) | 180 | 6.564(13.48) | 180 | Geffroyite | (Ag,Cu,Fe)9(Se,S)8 |
| 3.852(23.07) | 200 | 2.938(30.40) | 180 | 4.732(18.74) | 180 | Satpaevite | Al12V++++2V+++++6O37·30(H2O) |
| 3.860(23.02) | 200 | 5.840(15.16) | 120 | 16.240(5.44) | 120 | Bultfonteinite | Ca2SiO2(OH,F)4 |
| 3.860(23.02) | 200 | 5.960(14.85) | 200 | 6.540(13.53) | 200 | Juanite | Ca10Mg4Al2Si11O39·4(H2O) (?) |
| 3.860(23.02) | 200 | 2.264(39.78) | 180 | 2.470(36.34) | 160 | Gaotaiite | Ir3Te8 |
| 3.862(23.01) | 200 | 6.306(14.03) | 188 | 3.294(27.05) | 70 | Fluorite | CaF2 |
| 3.864(23.00) | 200 | 5.832(15.18) | 120 | 3.367(26.45) | 90 | Jaipurite | CoS |
| 3.866(22.99) | 200 | 4.750(18.67) | 180 | 3.714(23.94) | 160 | Roxbyite | Cu1.78S |
| 3.874(22.94) | 200 | 6.420(13.78) | 200 | 4.020(22.09) | 180 | Huanghoite-(Ce) | BaCe(CO3)2F |
| 3.874(22.94) | 200 | 6.360(13.91) | 120 | 5.480(16.16) | 100 | Bornite | Cu5FeS4 |
| 3.880(22.90) | 200 | 8.172(10.82) | 102 | 4.872(18.19) | 78 | Stalderite | TlCu(Zn,Fe,Hg)2As2S6 |
| 3.880(22.90) | 200 | 3.440(25.88) | 120 | 5.840(15.16) | 80 | Geversite | Pt(Sb,Bi)2 |
| 3.882(22.89) | 200 | 5.494(16.12) | 190 | 7.766(11.38) | 120 | Cryolite | Na3AlF6 |
| 3.884(22.88) | 200 | 5.260(16.84) | 200 | 5.060(17.51) | 160 | Oenite | CoSbAs |
| 3.890(22.84) | 200 | 4.800(18.47) | 200 | 6.040(14.65) | 200 | Chvilevaite | Na(Cu,Fe,Zn)2S2 |
| 3.896(22.81) | 200 | 5.560(15.93) | 200 | 6.860(12.89) | 150 | Bastnasite-(Y) | Y(CO3)F |
| 3.904(22.76) | 200 | 6.360(13.91) | 200 | 3.342(26.65) | 100 | Mgriite | (Cu,Fe)3AsSe3 |
| 3.910(22.72) | 200 | 2.500(35.89) | 160 | 3.470(25.65) | 160 | Mayingite | IrBiTe |
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