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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 |
| 20.600(4.29) | 200 | 15.920(5.55) | 180 | 5.740(15.42) | 160 | Kivuite | (Th,Ca,Pb)H2(UO2)4(PO4)2(OH)8·7(H2O) |
| 20.600(4.29) | 200 | 5.824(15.20) | 180 | 15.000(5.89) | 160 | Vashegyite | Al11(PO4)9(OH)6·38(H2O) or Al6(PO4)5(OH)3·23(H2O) |
| 20.600(4.29) | 200 | 7.160(12.35) | 180 | 9.880(8.94) | 180 | Torbernite | Cu(UO2)2(PO4)2·8-12(H2O) |
| 20.600(4.29) | 200 | 9.920(8.91) | 160 | 7.180(12.32) | 140 | Autunite | Ca(UO2)2(PO4)2·10-12(H2O) |
| 20.600(4.29) | 200 | 6.760(13.09) | 160 | 5.300(16.71) | 140 | Annite | KFe++3AlSi3O10(OH,F)2 |
| 20.640(4.28) | 200 | 6.906(12.81) | 160 | 10.340(8.54) | 120 | Biringuccite | Na2B5O8(OH)·(H2O) |
| 20.660(4.27) | 200 | 6.300(14.05) | 34 | 6.240(14.18) | 30 | Ternovite | (Mg,Ca)Nb4O11-n(H2O) where n ~ 10 |
| 20.700(4.27) | 200 | 4.878(18.17) | 140 | 6.842(12.93) | 120 | Nabokoite | Cu++7Te++++O4(SO4)5·KCl |
| 20.740(4.26) | 200 | 6.164(14.36) | 120 | 9.650(9.16) | 120 | Beraunite | Fe++Fe+++5(PO4)4(OH)5·4(H2O) |
| 20.760(4.25) | 200 | 5.546(15.97) | 180 | 6.194(14.29) | 160 | Tiettaite | (Na,K)17Fe+++TiSi16O29(OH)30·2(H2O) |
| 20.800(4.24) | 200 | 5.320(16.65) | 160 | 7.080(12.49) | 160 | Kupletskite-(Cs) | (Cs,K)2Na(Mn,Fe++,Li)7(Ti,Nb)2Si8O26(OH)4F |
| 20.800(4.24) | 200 | 6.160(14.37) | 160 | 10.340(8.54) | 140 | Phuralumite | Al2(UO2)3(PO4)2(OH)6·10(H2O) |
| 20.800(4.24) | 200 | 6.620(13.36) | 120 | 5.184(17.09) | 60 | Veatchite-p | Sr2B11O16(OH)5·(H2O) |
| 20.800(4.24) | 200 | 6.640(13.32) | 140 | 5.180(17.10) | 100 | Veatchite-A | Sr2B11O16(OH)5·(H2O) |
| 20.800(4.24) | 200 | 21.200(4.16) | 140 | 13.840(6.38) | 80 | Zykaite | Fe+++4(AsO4)3(SO4)(OH)·15(H2O) |
| 20.800(4.24) | 200 | 6.220(14.23) | 160 | 9.320(9.48) | 160 | Sonoraite | Fe+++Te++++O3(OH)·(H2O) |
| 20.820(4.24) | 200 | 4.892(18.12) | 160 | 6.862(12.89) | 140 | Atlasovite | Cu6Fe+++Bi+++O4(SO4)5·KCl |
| 20.880(4.23) | 200 | 6.970(12.69) | 60 | 5.288(16.75) | 22 | Suhailite | (NH4)Fe3(Si3Al)O10(OH)2 |
| 20.900(4.22) | 200 | 6.102(14.50) | 48 | 7.014(12.61) | 42 | Geigerite | Mn5(AsO3OH)2(AsO4)2·10(H2O) |
| 20.900(4.22) | 200 | 10.458(8.45) | 100 | 6.970(12.69) | 60 | Hydrombobomkulite | (Ni,Cu)Al4(NO3,SO4)2(OH)12·14(H2O) |
| 20.902(4.22) | 200 | 3.838(23.16) | 160 | 5.804(15.25) | 140 | Birchite | Cd2Cu2(PO4)2(SO4)·5H2O |
| 20.914(4.22) | 200 | 7.752(11.41) | 96 | 5.536(16.00) | 72 | Lawsonbauerite | (Mn,Mg)9Zn4(SO4)2(OH)22·8(H2O) |
| 20.940(4.22) | 200 | 6.904(12.81) | 60 | 5.814(15.23) | 24 | Bokite | (Al,Fe+++)1.3(V++++,Fe)8O20·4.7(H2O) |
| 21.000(4.20) | 200 | 10.500(8.41) | 160 | 5.100(17.37) | 140 | Carrboydite | (Ni,Cu)14Al9(SO4,CO3)6(OH)43·7(H2O) |
| 21.000(4.20) | 200 | 10.520(8.40) | 34 | 7.000(12.64) | 12 | Hydrowoodwardite | Cu1-xAlx(OH)2(SO4)x/2·n(H2O) with 0 < x < 0.67 and n > 3x/2 |
| 21.000(4.20) | 200 | 5.840(15.16) | 160 | 6.080(14.56) | 120 | Jennite | Ca9Si6O18(OH)6·8H2O |
| 21.000(4.20) | 200 | 6.604(13.40) | 180 | 5.242(16.90) | 60 | Yofortierite | (Mn,Mg)5Si8O20(OH)2·8-9(H2O) |
| 21.002(4.20) | 200 | 6.236(14.19) | 140 | 7.674(11.52) | 140 | Alfredstelznerite | Ca4(H2O)4 [B4O4(OH)6]4 {H2O}15 |
| 21.020(4.20) | 200 | 6.162(14.36) | 156 | 5.938(14.91) | 88 | Rimkorolgite | Mg5Ba(PO4)4·8(H2O) |
| 21.020(4.20) | 200 | 6.968(12.69) | 120 | 5.212(17.00) | 80 | Kazakhstanite | Fe+++5V++++3V+++++12O39(OH)9·9(H2O) |
| 21.076(4.19) | 200 | 20.062(4.40) | 28 | 18.720(4.72) | 26 | Parwanite | (Na,K)(Mg,Ca)4Al8(PO4)8(CO3)(OH)7·30H2O |
| 21.080(4.19) | 200 | 7.020(12.60) | 140 | 5.574(15.89) | 120 | Shafranovskite | K2Na3(Mn++,Fe++,Na)4[Si9(O,OH)27](OH)2·n(H2O), n~2.33 |
| 21.120(4.18) | 200 | 6.392(13.84) | 160 | 12.760(6.92) | 100 | Intersilite | Na6Mn++Ti[Si10O24(OH)](OH)3·4(H2O) |
| 21.180(4.17) | 200 | 5.420(16.34) | 84 | 5.260(16.84) | 82 | Namuwite | (Zn,Cu)4(SO4)(OH)6·4(H2O) |
| 21.200(4.16) | 200 | 11.720(7.54) | 180 | 12.680(6.97) | 120 | Dypingite | Mg5(CO3)4(OH)2·5(H2O) |
| 21.200(4.16) | 200 | 7.020(12.60) | 160 | 5.540(15.98) | 120 | Astrophyllite | K2Na(Fe++,Mn)7Ti2Si8O26(OH)4 |
| 21.280(4.15) | 200 | 10.880(8.12) | 140 | 9.140(9.67) | 120 | Rankachite | CaFe++V+++++4W++++++8O36·12(H2O) |
| 21.340(4.14) | 200 | 7.120(12.42) | 36 | 6.346(13.94) | 26 | IMA2008-010 | CaCu4(AsO4)2(AsO3OH)2·10H2O |
| 21.360(4.13) | 200 | 3.680(24.16) | 160 | 6.960(12.71) | 60 | Fernandinite | CaV8O20·4(H2O) |
| 21.360(4.13) | 200 | 10.680(8.27) | 120 | 7.120(12.42) | 88 | Campigliaite | Cu4Mn(SO4)2(OH)6·4(H2O) |
| 21.380(4.13) | 200 | 6.102(14.50) | 160 | 6.242(14.18) | 160 | George-ericksenite | Na6CaMg(IO3)6(CrO4)2·12(H2O) |
| 21.400(4.13) | 200 | 17.040(5.18) | 80 | 15.800(5.59) | 70 | Vanalite | NaAl8V10O38·30(H2O) |
| 21.400(4.13) | 200 | 5.900(15.00) | 100 | 6.980(12.67) | 80 | Rauvite | Ca(UO2)2V+++++10O28·16(H2O) |
| 21.414(4.12) | 200 | 7.072(12.51) | 100 | 5.174(17.12) | 80 | Niobokupletskite | K2Na(Mn,Zn,Fe)7(Nb,Zr,Ti)2Si8O26(OH)4(O,F) |
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