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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 |
| 15.880(5.56) | 200 | 6.280(14.09) | 140 | 7.640(11.57) | 100 | Cobaltkoritnigite | (Co,Zn)(AsO3OH)·(H2O) |
| 15.900(5.55) | 200 | 7.944(11.13) | 160 | 6.542(13.52) | 80 | Kamitugaite | PbAl(UO2)5(PO4)2(OH)9·9.5(H2O) |
| 15.900(5.55) | 200 | 4.600(19.28) | 190 | 27.400(3.22) | 190 | Buttgenbachite | Cu19Cl4(NO3)2(OH)32·2(H2O) |
| 15.900(5.55) | 200 | 6.220(14.23) | 180 | 5.760(15.37) | 160 | Renardite | Pb(UO2)4(PO4)2(OH)4·7(H2O) |
| 15.920(5.55) | 200 | 4.516(19.64) | 128 | 5.642(15.69) | 118 | Kovdorskite | Mg5(PO4)2(CO3)(OH)2·4.5(H2O) |
| 15.928(5.54) | 200 | 13.708(6.44) | 100 | 12.264(7.20) | 50 | Cavansite | Ca(VO)Si4O10·4(H2O) |
| 15.940(5.54) | 200 | 5.384(16.45) | 68 | 7.940(11.13) | 64 | Fougerite | (Fe++,Mg)6Fe+++2(OH)18·4(H2O) |
| 15.960(5.53) | 200 | 10.640(8.30) | 126 | 6.380(13.87) | 90 | Cattiite | Mg3(PO4)2·22(H2O) |
| 15.960(5.53) | 200 | 22.320(3.96) | 140 | 9.260(9.54) | 100 | Wermlandite | (Ca,Mg)Mg7(Al,Fe+++)2(SO4)2(OH)18·12(H2O) |
| 15.980(5.53) | 200 | 8.460(10.45) | 140 | 11.600(7.61) | 110 | Mellite | Al2[C6(COO)6]·16(H2O) |
| 15.980(5.53) | 200 | 6.540(13.53) | 160 | 5.662(15.64) | 120 | Natropharmacosiderite | (Na,K)2Fe+++4(AsO4)3(OH)5·7(H2O) |
| 16.020(5.51) | 200 | 8.120(10.89) | 100 | 6.960(12.71) | 80 | Searlesite | NaBSi2O5(OH)2 |
| 16.020(5.51) | 200 | 5.824(15.20) | 160 | 8.020(11.02) | 140 | Haynesite | (UO2)3(SeO3)2(OH)2·5(H2O) |
| 16.020(5.51) | 200 | 7.124(12.41) | 98 | 5.614(15.77) | 96 | Lemoynite | (Na,K)2CaZr2Si10O26·5-6(H2O) |
| 16.080(5.49) | 200 | 4.014(22.13) | 120 | 8.041(10.99) | 96 | Woodallite | Mg6Cr2(OH)16Cl2·4(H2O) |
| 16.080(5.49) | 200 | 4.878(18.17) | 190 | 7.686(11.50) | 150 | Korshunovskite | Mg2Cl(OH)3·3.5-4(H2O) |
| 16.100(5.48) | 200 | 6.180(14.32) | 160 | 6.200(14.27) | 160 | Phurcalite | Ca2(UO2)3O2(PO4)2·7(H2O) |
| 16.120(5.48) | 200 | 8.040(11.00) | 160 | 6.976(12.68) | 140 | Urancalcarite | Ca(UO2)3(CO3)(OH)6·3(H2O) |
| 16.125(5.48) | 200 | 6.400(13.83) | 88 | 4.789(18.51) | 82 | Effenbergerite | BaCuSi4O10 |
| 16.180(5.46) | 200 | 6.840(12.93) | 180 | 6.360(13.91) | 160 | Joliotite | (UO2)(CO3)·n(H2O), (n=2?) |
| 16.180(5.46) | 200 | 12.460(7.09) | 120 | 7.320(12.08) | 100 | Dresserite | BaAl2(CO3)2(OH)4·(H2O) |
| 16.200(5.45) | 200 | 8.080(10.94) | 80 | 7.120(12.42) | 40 | Brianroulstonite | Ca3[B5O6(OH)6](OH)Cl2·8(H2O) |
| 16.214(5.45) | 200 | 6.000(14.75) | 180 | 8.854(9.98) | 140 | Holmquistite | [ ](Li2Mg3Al2)Si8O22(OH)2 |
| 16.218(5.44) | 200 | 8.094(10.92) | 80 | 4.726(18.76) | 54 | Iowaite | Mg4Fe+++(OH)8OCl·2-4(H2O) |
| 16.220(5.44) | 200 | 6.000(14.75) | 96 | 8.840(1-) | 52 | Ferroholmquistite | [ ](Li2Fe++3Al2)Si8O22(OH)2 |
| 16.240(5.44) | 200 | 5.726(15.46) | 96 | 7.086(12.48) | 78 | Bussyite-(Ce) | (Ce,REE)3(Na,H2O)6MnSi9Be5(O,OH)30F4 |
| 16.270(5.43) | 200 | 11.950(7.39) | 80 | 7.128(12.41) | 80 | Natrolemoynite | Na4Zr2Si10O26·9(H2O) |
| 16.292(5.42) | 200 | 5.372(16.49) | 180 | 6.016(14.71) | 160 | IMA2008-070 | NaLi2(Fe2Al2Li)(Si6Al2)O22F2 |
| 16.300(5.42) | 200 | 5.556(15.94) | 180 | 8.140(10.86) | 160 | Zemannite | Mg0.5[Zn++Fe+++(TeO3)3]·4.5(H2O) |
| 16.300(5.42) | 200 | 6.000(14.75) | 160 | 8.080(10.94) | 140 | Lepersonnite-(Gd) | CaGd2(UO3)24(CO3)8(SiO4)4O4·60(H2O) |
| 16.320(5.41) | 200 | 9.640(9.17) | 180 | 12.120(7.29) | 140 | Cuprosklodowskite | Cu[(UO2)(SiO2OH)]2·6(H2O) |
| 16.380(5.39) | 200 | 4.818(18.40) | 60 | 7.440(11.89) | 40 | Sabieite | (NH4)Fe+++(SO4)2 |
| 16.400(5.38) | 200 | 14.800(5.97) | 140 | 5.460(16.22) | 120 | Hummerite | KMgV+++++5O14·8(H2O) |
| 16.400(5.38) | 200 | 6.380(13.87) | 90 | 18.400(4.80) | 50 | Gowerite | CaB6O10·5(H2O) |
| 16.420(5.38) | 200 | 14.340(6.16) | 220 | 8.400(10.52) | 40 | Mpororoite | Al(WO3)(OH)3·2(H2O) |
| 16.448(5.37) | 200 | 5.434(16.30) | 138 | 6.084(14.55) | 108 | Ferri-clinoferroholmquistite | [ ]Li2(Fe+++2Fe++3)Si8O22(OH)2 |
| 16.460(5.36) | 200 | 6.080(14.56) | 140 | 6.440(13.74) | 40 | Ferrogedrite | [ ]Fe++5Al2Si6Al2O22(OH)2 |
| 16.480(5.36) | 200 | 8.740(10.11) | 160 | 15.580(5.67) | 160 | Rabbittite | Ca3Mg3(UO2)2(CO3)6(OH)4·18(H2O) |
| 16.480(5.36) | 200 | 15.660(5.64) | 188 | 9.324(9.48) | 122 | Mapimite | Zn2Fe+++3(AsO4)3(OH)4·10(H2O) |
| 16.482(5.36) | 200 | 5.428(16.32) | 144 | 6.100(14.51) | 120 | Sodic-ferri-ferropedrizite | NaLi2(Fe+++2Fe++3)Si8O22(OH)2 |
| 16.512(5.35) | 200 | 5.418(16.35) | 162 | 5.002(17.72) | 136 | Ferri-ottoliniite | [ ](Na,Li)(Mg3Fe+++2)Si8O22(OH)2 |
| 16.520(5.35) | 200 | 5.520(16.04) | 150 | 10.900(8.10) | 130 | Paracoquimbite | Fe+++2(SO4)3·9(H2O) |
| 16.520(5.35) | 200 | 5.518(16.05) | 150 | 10.900(8.10) | 130 | Coquimbite | Fe+++2(SO4)3·9(H2O) |
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