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Minerals Arranged by X-Ray Powder Diffraction
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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Selected X-Ray λ |
Change X-Ray λ |
D1 Å |
D2 Å |
D3 Å |
Tolerance % |
Elements |
|---|
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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 5.390(16.43) | 100 | 2.310(38.96) | 70 | 2.050(44.14) | 50 | Pinnoite | MgB2O4•3(H2O) |
| 5.390(16.43) | 100 | 4.940(17.94) | 90 | 3.350(26.59) | 80 | Chalcomenite | CuSeO3•2(H2O) |
| 5.400(16.40) | 100 | 2.730(32.78) | 90 | 2.940(30.38) | 80 | Realgar | AsS |
| 5.400(16.40) | 100 | 5.000(17.72) | 100 | 2.820(31.70) | 100 | Atacamite | Cu2Cl(OH)3 |
| 5.400(16.40) | 100 | 3.190(27.95) | 90 | 2.730(32.78) | 80 | Realgar | AsS |
| 5.400(16.40) | 100 | 2.160(41.78) | 50 | 4.760(18.63) | 40 | Vyalsovite | FeS•Ca(OH)2•Al(OH)3 |
| 5.400(16.40) | 100 | 1.910(47.57) | 90 | 3.120(28.59) | 50 | Sulvanite | Cu3VS4 |
| 5.410(16.37) | 100 | 1.860(48.93) | 50 | 10.940(8.08) | 40 | Tochilinite | 6Fe0.9S•5(Mg,Fe++)(OH)2 |
| 5.410(16.37) | 100 | 2.320(38.78) | 50 | 1.860(48.93) | 40 | Tochilinite | 6Fe0.9S•5(Mg,Fe++)(OH)2 |
| 5.430(16.31) | 100 | 3.300(27.00) | 80 | 5.530(16.01) | 50 | Ammonioleucite | (NH4,K)AlSi2O6 |
| 5.440(16.28) | 100 | 2.720(32.90) | 100 | 1.120(86.90) | 100 | Arsenolamprite | As |
| 5.440(16.28) | 100 | 4.020(22.09) | 14 | 2.637(33.97) | 10 | Eriochalcite | CuCl2•2(H2O) |
| 5.440(16.28) | 100 | 2.270(39.67) | 80 | 2.740(32.65) | 60 | Paratacamite | (Cu,Zn)2(OH)3Cl |
| 5.440(16.28) | 100 | 2.740(32.65) | 80 | 2.760(32.41) | 60 | Paratacamite | (Cu,Zn)2(OH)3Cl |
| 5.450(16.25) | 100 | 4.360(20.35) | 100 | 3.090(28.87) | 90 | Mansfieldite | AlAsO4•2(H2O) |
| 5.460(16.22) | 100 | 4.470(19.85) | 100 | 6.850(12.91) | 80 | Boyleite | (Zn,Mg)SO4•4(H2O) |
| 5.463(16.21) | 100 | 2.755(32.47) | 69 | 2.257(39.91) | 39 | Gillardite | Cu3NiCl2(OH)6 |
| 5.470(16.19) | 100 | 2.742(32.63) | 70 | 2.767(32.33) | 60 | Clinoatacamite | Cu2(OH)3Cl |
| 5.470(16.19) | 100 | 1.725(53.04) | 85 | 1.775(51.44) | 78 | Rosenbergite | AlF3•3(H2O) |
| 5.480(16.16) | 100 | 8.520(10.37) | 70 | 3.840(23.14) | 60 | Coskrenite-(Ce) | (Ce,Nd,La)2(SO4)2(C2O4)•8(H2O) |
| 5.480(16.16) | 100 | 3.840(23.14) | 70 | 6.720(13.16) | 60 | Coskrenite-(Ce) | (Ce,Nd,La)2(SO4)2(C2O4)•8(H2O) |
| 5.490(16.13) | 100 | 3.210(27.77) | 75 | 3.260(27.33) | 60 | Mirabilite | Na2SO4•10(H2O) |
| 5.496(16.11) | 100 | 11.020(8.02) | 90 | 4.079(21.77) | 50 | Niedermayrite | Cu4Cd(SO4)2(OH)6•4(H2O) |
| 5.500(16.10) | 100 | 4.670(18.99) | 100 | 5.100(17.37) | 80 | Pascoite | Ca3V10O28•17(H2O) |
| 5.500(16.10) | 100 | 8.760(10.09) | 100 | 7.310(12.10) | 90 | Swartzite | CaMg(UO2)(CO3)3•12(H2O) |
| 5.500(16.10) | 100 | 6.090(14.53) | 90 | 5.200(17.04) | 70 | Refikite | C19H31COOH |
| 5.502(16.10) | 100 | 8.199(10.78) | 100 | 2.883(30.99) | 80 | Bobkingite | Cu5Cl2(OH)8(H2O)2 |
| 5.507(16.08) | 100 | 3.314(26.88) | 100 | 2.292(39.28) | 100 | Diaboleite | Pb2CuCl2(OH)4 |
| 5.520(16.04) | 100 | 2.834(31.54) | 7.920(11.16) | Caoxite | Ca(C2O4)•3(H2O) | ||
| 5.521(16.04) | 100 | 2.389(37.62) | 90 | 1.841(49.47) | 90 | Tarkianite | (Cu,Fe)(Re,Mo)4S8 |
| 5.521(16.04) | 100 | 2.389(37.62) | 90 | 2.885(30.97) | 90 | Tarkianite | (Cu,Fe)(Re,Mo)4S8 |
| 5.521(16.04) | 100 | 1.841(49.47) | 90 | 2.389(37.62) | 90 | Tarkianite | (Cu,Fe)(Re,Mo)4S8 |
| 5.530(16.01) | 100 | 5.060(17.51) | 100 | 7.000(12.64) | 60 | Dinite | C20H36 |
| 5.530(16.01) | 100 | 2.762(32.39) | 70 | 4.228(20.99) | 60 | Rokuhnite | Fe++Cl2•(H2O) |
| 5.540(15.98) | 100 | 4.530(19.58) | 90 | 2.770(32.29) | 90 | Andalusite | Al2SiO5 = Al[6]Al[5]OSiO4 |
| 5.540(15.98) | 100 | 10.380(8.51) | 34 | 6.590(13.42) | 33 | Hartite | C20H34 |
| 5.540(15.98) | 100 | 2.770(32.29) | 90 | 4.530(19.58) | 90 | Andalusite | Al2SiO5 = Al[6]Al[5]OSiO4 |
| 5.550(15.96) | 100 | 7.740(11.42) | 90 | 6.880(12.86) | 80 | Roubaultite | Cu2(UO2)3(CO3)2O2(OH)2•4(H2O) |
| 5.553(15.95) | 100 | 2.785(32.11) | 52 | 2.758(32.44) | 52 | Belloite | Cu(OH)Cl |
| 5.553(15.95) | 100 | 2.758(32.44) | 52 | 2.785(32.11) | 52 | Belloite | Cu(OH)Cl |
| 5.560(15.93) | 100 | 5.030(17.62) | 100 | 9.460(9.34) | 100 | Chabazite-K | (K2,Ca,Na2,Mg)[Al2Si4O12]•6(H2O) |
| 5.560(15.93) | 100 | 5.030(17.62) | 100 | 9.460(9.34) | 100 | Chabazite-Na | (Na2,K2,Ca,Mg)[Al2Si4O12]•6(H2O) |
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