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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 |
| 7.948(11.12) | 200 | 5.200(17.04) | 144 | 4.368(20.31) | 98 | Roweite | Ca2Mn++2B4O7(OH)6 |
| 7.956(11.11) | 200 | 5.164(17.16) | 180 | 8.468(10.44) | 180 | Hydroxyuvite | CaMg3(Al5Mg)(Si6O18)(BO3)3(OH)3(OH) |
| 7.960(11.11) | 200 | 6.080(14.56) | 60 | 7.220(12.25) | 40 | Urea | CO(NH2)2 |
| 7.960(11.11) | 200 | 3.666(24.26) | 180 | 5.840(15.16) | 160 | Zharchikhite | AlF(OH)2 |
| 7.980(11.08) | 200 | 8.360(10.57) | 160 | 5.940(14.90) | 104 | Keldyshite | Na2-xHxZrSi2O7·n(H2O) |
| 7.980(11.08) | 200 | 6.500(13.61) | 160 | 6.760(13.09) | 140 | Scotlandite | PbSO3 |
| 7.980(11.08) | 200 | 4.520(19.62) | 140 | 7.120(12.42) | 140 | Naujakasite | Na6(Fe++,Mn)Al4Si8O26 |
| 7.980(11.08) | 200 | 4.634(19.14) | 112 | 4.262(20.82) | 104 | Diaspore | AlO(OH) |
| 8.000(11.05) | 200 | 5.288(16.75) | 160 | 6.400(13.83) | 160 | Reinerite | Zn3(As+++O3)2 |
| 8.000(11.05) | 200 | 7.600(11.63) | 140 | 5.980(14.80) | 100 | Paracelsian | BaAl2Si2O8 |
| 8.000(11.05) | 200 | 6.516(13.58) | 150 | 6.376(13.88) | 150 | Orlandiite | Pb3(Cl,OH)4(SeO3)·(H2O) |
| 8.028(11.01) | 200 | 20.660(4.27) | 200 | 6.870(12.88) | 180 | Kanemite | NaHSi2O5·3(H2O) |
| 8.040(11.00) | 200 | 3.926(22.63) | 180 | 3.992(22.25) | 160 | Thomsenolite | NaCaAlF6·(H2O) |
| 8.040(11.00) | 200 | 4.592(19.31) | 160 | 4.754(18.65) | 120 | Barstowite | Pb4(CO3)Cl6·(H2O) |
| 8.060(10.97) | 200 | 23.200(3.81) | 64 | 4.228(20.99) | 32 | Tschernichite | (Ca,Na)(Si6Al2)O16·4-8(H2O) |
| 8.060(10.97) | 200 | 5.108(17.35) | 180 | 5.940(14.90) | 120 | Kipushite | (Cu,Zn)5Zn(PO4)2(OH)6·(H2O) |
| 8.080(10.94) | 200 | 5.140(17.24) | 160 | 6.660(13.28) | 160 | Vrbaite | Tl4Hg3Sb2As8S20 |
| 8.100(10.91) | 200 | 4.970(17.83) | 40 | 5.682(15.58) | 26 | Cristobalite | SiO2 |
| 8.108(10.90) | 200 | 18.200(4.85) | 200 | 6.056(14.61) | 160 | Barrerite | (Na,K,Ca)2Al2Si7O18·6(H2O) |
| 8.120(10.89) | 200 | 3.628(24.52) | 120 | 3.314(26.88) | 80 | Burtite | CaSn(OH)6 |
| 8.120(10.89) | 200 | 4.640(19.11) | 130 | 5.100(17.37) | 120 | Ramsdellite | MnO2 |
| 8.140(10.86) | 200 | 5.324(16.64) | 120 | 6.990(12.65) | 100 | Diomignite | Li2B4O7 |
| 8.152(10.84) | 200 | 5.612(15.78) | 136 | 6.106(14.49) | 134 | Parascorodite | Fe+++AsO4·2(H2O) |
| 8.158(10.84) | 200 | 16.300(5.42) | 180 | 5.580(15.87) | 170 | Kinichilite | Mg0.5[Mn++Fe+++(TeO3)3]·4.5(H2O) |
| 8.160(10.83) | 200 | 11.860(7.45) | 142 | 13.360(6.61) | 142 | Legrandite | Zn2(AsO4)(OH)·(H2O) |
| 8.160(10.83) | 200 | 9.440(9.36) | 160 | 12.980(6.80) | 160 | Rosslerite | Mg(AsO3OH)·7(H2O) |
| 8.160(10.83) | 200 | 5.020(17.65) | 180 | 3.640(24.43) | 160 | Gutsevichite | Al3(PO4)2(OH)3·8(H2O) |
| 8.180(10.81) | 200 | 5.300(16.71) | 160 | 5.092(17.40) | 140 | Bracewellite | Cr+++O(OH) |
| 8.200(10.78) | 200 | 7.468(11.84) | 180 | 9.630(9.18) | 160 | Deloryite | Cu++4(UO2)(MoO4)2(OH)6 |
| 8.200(10.78) | 200 | 5.630(15.73) | 160 | 16.380(5.39) | 130 | Levyne-Na | (Na2,Ca,K2)Al2Si4O12·6(H2O) |
| 8.200(10.78) | 200 | 5.630(15.73) | 160 | 16.380(5.39) | 130 | Levyne-Ca | (Ca,Na2,K2)Al2Si4O12·6(H2O) |
| 8.200(10.78) | 200 | 25.800(3.42) | 180 | 5.920(14.95) | 160 | Gmelinite-Na | (Na2,Ca)Al2Si4O12·6(H2O) |
| 8.200(10.78) | 200 | 5.300(16.71) | 150 | 5.760(15.37) | 100 | Bischofite | MgCl2·6(H2O) |
| 8.200(10.78) | 200 | 4.654(19.05) | 142 | 6.200(14.27) | 142 | Behierite | (Ta,Nb)BO4 |
| 8.200(10.78) | 200 | 25.800(3.42) | 180 | 5.920(14.95) | 160 | Gmelinite-Ca | (Ca,Na2)Al2Si4O12·6(H2O) |
| 8.214(10.76) | 200 | 8.656(10.21) | 180 | 7.636(11.58) | 100 | Tridymite | SiO2 |
| 8.218(10.76) | 200 | 8.434(10.48) | 174 | 11.674(7.57) | 132 | Quenstedtite | Fe+++2(SO4)3·10(H2O) |
| 8.218(10.76) | 200 | 5.810(15.24) | 180 | 14.282(6.18) | 160 | Brannockite | KSn2Li3Si12O30 |
| 8.220(10.75) | 200 | 8.640(10.23) | 200 | 9.660(9.15) | 200 | Kalinite | KAl(SO4)2·11(H2O) |
| 8.230(10.74) | 200 | 6.220(14.23) | 168 | 4.656(19.05) | 98 | Schiavinatoite | (Nb,Ta)BO4 |
| 8.256(10.71) | 200 | 3.867(22.98) | 108 | 5.338(16.59) | 102 | Suredaite | PbSnS3 |
| 8.260(10.70) | 200 | 6.400(13.83) | 100 | 6.300(14.05) | 80 | Umohoite | [(UO2)MoO4]·H2O |
| 8.262(10.70) | 200 | 10.990(8.04) | 150 | 5.340(16.59) | 90 | Ottemannite | Sn2S3 |
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