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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 |
| 3.500(25.43) | 200 | 3.800(23.39) | 140 | 5.960(14.85) | 120 | Malanite | Cu(Pt,Ir)2S4 |
| 3.500(25.43) | 200 | 5.700(15.53) | 200 | 4.860(18.24) | 140 | Gehlenite | Ca2Al(AlSi)O7 |
| 3.500(25.43) | 200 | 5.200(17.04) | 160 | 6.660(13.28) | 160 | Varlamoffite | (Sn,Fe)(O,OH)2 |
| 3.510(25.35) | 200 | 4.960(17.87) | 200 | 6.000(14.75) | 160 | Trustedtite | Ni3Se4 |
| 3.510(25.35) | 200 | 3.704(24.01) | 180 | 3.098(28.79) | 160 | Polkanovite | Rh12As7 |
| 3.516(25.31) | 200 | 6.000(14.75) | 200 | 2.018(44.88) | 180 | Cuprorhodsite | CuRh2S4 |
| 3.520(25.28) | 200 | 6.000(14.75) | 200 | 4.978(17.80) | 180 | Cuproiridsite | CuIr2S4 |
| 3.526(25.24) | 200 | 5.960(14.85) | 200 | 4.918(18.02) | 180 | Konderite | PbCu3(Rh,Pt,Ir)8S16 |
| 3.526(25.24) | 200 | 6.016(14.71) | 200 | 3.836(23.17) | 160 | Cobaltpentlandite | Co9S8 |
| 3.530(25.21) | 200 | 6.000(14.75) | 160 | 11.600(7.61) | 160 | Xingzhongite | (Pb,Cu,Fe)(Ir,Pt,Rh)2S4 |
| 3.530(25.21) | 200 | 5.700(15.53) | 160 | 6.480(13.65) | 120 | Roshchinite | Ag19Pb10Sb51S96 or Pb(Ag,Cu)2(Sb,As)5S10 |
| 3.532(25.19) | 200 | 5.334(16.61) | 200 | 6.198(14.28) | 200 | Yftisite-(Y) | (Y,Dy,Er)4(Ti,Sn)O(SiO4)2(F,OH)6 |
| 3.536(25.16) | 200 | 6.020(14.70) | 200 | 5.000(17.72) | 160 | Florensovite | Cu(Cr1.5Sb0.5)S4 |
| 3.538(25.15) | 200 | 5.002(17.72) | 180 | 5.772(15.34) | 140 | Tyrrellite | (Cu,Co,Ni)3Se4 |
| 3.540(25.14) | 200 | 6.040(14.65) | 160 | 5.020(17.65) | 120 | Daubreelite | Fe++Cr2S4 |
| 3.548(25.08) | 200 | 6.040(14.65) | 180 | 4.480(19.80) | 180 | Miassite | Rh17S15 |
| 3.550(25.06) | 200 | 6.060(14.61) | 160 | 3.862(23.01) | 100 | Pentlandite | (Fe,Ni)9S8 |
| 3.552(25.05) | 200 | 17.400(5.07) | 200 | 6.140(14.41) | 180 | Vozhminite | (Ni,Co)4(As,Sb)S2 |
| 3.558(25.01) | 200 | 5.780(15.32) | 180 | 5.900(15.00) | 180 | Weberite | Na2MgAlF7 |
| 3.564(24.96) | 200 | 4.664(19.01) | 160 | 6.204(14.26) | 160 | Welinite-III | Mn++6(W++++++,Mg)2Si2(O,OH)14 |
| 3.564(24.96) | 200 | 4.664(19.01) | 160 | 6.204(14.26) | 160 | Welinite-VIII | (Mn++,Mg)3(W++++++,Mn+++)1-x(SiO4)(O,OH)3 (x=1/3) |
| 3.565(24.96) | 200 | 6.786(13.04) | 178 | 5.026(17.63) | 158 | Manganhumite | (Mn,Mg)7(SiO4)3(OH)2 |
| 3.582(24.84) | 160 | 4.640(19.11) | 160 | 3.488(25.52) | 160 | Felbertalite | Cu2Pb6Bi8S19 |
| 3.592(24.77) | 200 | 5.104(17.36) | 160 | 5.746(15.41) | 160 | Ribbeite | (Mn++,Mg)5(SiO4)2(OH)2 |
| 3.594(24.75) | 200 | 2.650(33.80) | 160 | 4.444(19.96) | 160 | Zoubekite | AgPb4Sb4S10 |
| 3.596(24.74) | 200 | 3.992(22.25) | 160 | 6.886(12.85) | 40 | Ertixiite | Na2Si4O9 |
| 3.598(24.72) | 200 | 5.720(15.48) | 160 | 5.196(17.05) | 120 | Alleghanyite | Mn5(SiO4)2(OH)2 |
| 3.600(24.71) | 200 | 3.550(25.06) | 180 | 3.490(25.50) | 160 | Vincentite | (Pd,Pt)3(As,Sb,Te) |
| 3.600(24.71) | 200 | 4.040(21.98) | 200 | 5.400(16.40) | 200 | Wilkmanite | Ni3Se4 |
| 3.602(24.70) | 200 | 2.296(39.20) | 140 | 5.960(14.85) | 120 | Sperrylite | PtAs2 |
| 3.602(24.70) | 200 | 5.890(15.03) | 200 | 3.074(29.02) | 180 | Calzirtite | CaZr3TiO9 |
| 3.608(24.65) | 200 | 5.784(15.31) | 200 | 7.414(11.93) | 120 | Nordenskioldine | CaSnB2O6 |
| 3.612(24.63) | 200 | 5.754(15.39) | 180 | 5.368(16.50) | 160 | Leucophoenicite | Mn7(SiO4)3(OH)2 |
| 3.612(24.63) | 200 | 5.114(17.33) | 200 | 5.738(15.43) | 156 | Jerrygibbsite | (Mn,Zn)9(SiO4)4(OH)2 |
| 3.620(24.57) | 200 | 6.540(13.53) | 200 | 6.320(14.00) | 180 | Nasonite | Pb6Ca4Si6O21Cl2 |
| 3.622(24.56) | 200 | 5.288(16.75) | 200 | 7.038(12.57) | 200 | Chernovite-(Y) | YAsO4 |
| 3.626(24.53) | 200 | 2.292(39.28) | 180 | 5.980(14.80) | 180 | Tolovkite | IrSbS |
| 3.636(24.46) | 200 | 6.240(14.18) | 160 | 8.340(10.60) | 160 | Tungusite | [Ca14(OH)8](Si8020)(Si8020)2[Fe++9(OH)14] |
| 3.638(24.45) | 200 | 4.480(19.80) | 200 | 6.340(13.96) | 200 | Argentite | Ag2S |
| 3.640(24.43) | 200 | 6.890(12.84) | 178 | 3.976(22.34) | 164 | Rambergite | MnS |
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