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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 |
| 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 | 6.380(13.87) | 90 | 18.400(4.80) | 50 | Gowerite | CaB6O10·5(H2O) |
| 16.400(5.38) | 200 | 14.800(5.97) | 140 | 5.460(16.22) | 120 | Hummerite | KMgV+++++5O14·8(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) |
| 16.566(5.33) | 200 | 17.970(4.91) | 70 | 9.756(9.06) | 58 | IMA2008-047 | Cd3Zn2(AsO3OH)2(AsO4)24?H2O |
| 16.580(5.33) | 200 | 6.678(13.25) | 180 | 5.768(15.35) | 160 | Penkvilksite | Na4(Ti++++,Zr)2[Si8O22]·4(H2O) |
| 16.620(5.31) | 200 | 6.160(14.37) | 140 | 5.420(16.34) | 80 | Crossite | Na2(Mg,Fe++)3(Al,Fe+++)2Si8O22(OH)2 |
| 16.652(5.30) | 200 | 5.958(14.86) | 160 | 5.568(15.90) | 160 | Artsmithite | Hg+4Al(PO4)1.74(OH)1.78 |
| 16.660(5.30) | 200 | 5.540(15.98) | 180 | 6.140(14.41) | 160 | Grunerite | [ ]Fe++7Si8O22(OH)2 |
| 16.660(5.30) | 200 | 5.512(16.07) | 140 | 6.120(14.46) | 140 | Cummingtonite | [ ]Mg7Si8O22(OH)2 |
| 16.700(5.29) | 200 | 6.302(14.04) | 152 | 5.660(15.64) | 106 | Fluoro-potassichastingsite | KCa2(Fe++2,Mg2,Fe+++)S5(Si6Al2)8O22F2 |
| 16.700(5.29) | 200 | 19.820(4.45) | 120 | 15.440(5.72) | 100 | Kaatialaite | Fe+++[H2As+++++O4]3·5-5.5(H2O) |
| 16.704(5.29) | 200 | 5.406(16.38) | 184 | 6.196(14.28) | 136 | Aluminotaramite | Na(CaNa)(Fe+++3Al2)(Si6Al2)O22(OH)2 |
| 16.706(5.29) | 200 | 5.120(17.31) | 184 | 6.148(14.39) | 128 | Protoferro-anthophyllite | (Fe++,Mn++)2(Fe++,Mg)5(Si4O11)2(OH)2 |
| 16.706(5.29) | 200 | 8.342(10.60) | 200 | 5.806(15.25) | 180 | Carletonite | KNa4Ca4Si8O18(CO3)4(OH,F)·(H2O) |
| 16.720(5.28) | 200 | 6.180(14.32) | 180 | 5.520(16.04) | 80 | Manganogrunerite | [ ]Mn2Fe++5Si8O22(OH) |
| 16.760(5.27) | 200 | 6.240(14.18) | 200 | 5.420(16.34) | 180 | Actinolite | Ca2(Mg,Fe++)5Si8O22(OH)2 |
| 16.760(5.27) | 200 | 5.120(17.31) | 180 | 4.680(18.95) | 160 | Magnesiosadanagaite | NaCa2[Mg3(Al,Fe+++)2]Si5AlO22(OH)2 |
| 16.780(5.26) | 200 | 11.920(7.41) | 160 | 8.360(10.57) | 140 | Vanmeersscheite | U++++++(UO2)3(PO4)2(OH)6·4(H2O) |
| 16.800(5.26) | 200 | 9.320(9.48) | 180 | 22.400(3.94) | 180 | Lazarenkoite | CaFe++As+++3O7·3(H2O) |
| 16.800(5.26) | 200 | 6.860(12.89) | 160 | 8.360(10.57) | 160 | Upalite | Al(UO2)3(PO4)2O(OH)·7(H2O) |
| 16.800(5.26) | 200 | 5.382(16.46) | 180 | 5.804(15.25) | 180 | Tumchaite | Na2(Zr,Sn)Si4O11·2(H2O) |
| 16.800(5.26) | 200 | 5.440(16.28) | 100 | 5.120(17.31) | 60 | Ferrotschermakite | [ ]Ca2(Fe++3AlFe+++)Si6Al2O22(OH) |
| 16.828(5.25) | 200 | 5.410(16.37) | 140 | 6.780(13.05) | 120 | Obertiite | NaNa2(Mg3Fe+++Ti)Si8O22(O,F,OH)2 |
| 16.840(5.24) | 200 | 5.428(16.32) | 150 | 5.130(17.27) | 120 | IMA2007-015 | K(CaNa)(Fe++3Al2)(Si6Al2)O22(OH)2 |
| 16.840(5.24) | 200 | 8.420(10.50) | 128 | 8.640(10.23) | 42 | Guanacoite | (Cu,Mg)2Mg2(Mg,Cu)(OH)4(H2O)4(AsO4)2 |
| 16.840(5.24) | 200 | 7.260(12.18) | 180 | 6.540(13.53) | 160 | Natrouranospinite | (Na2,Ca)(UO2)2(AsO4)2·5(H2O) |
| 16.840(5.24) | 200 | 6.232(14.20) | 120 | 5.422(16.33) | 40 | Ferriwinchite | ([ ],Na)(Na,Ca)2(Mg, Fe++)4Fe+++[Si8O22](OH)2 |
| 16.840(5.24) | 200 | 8.380(10.55) | 160 | 6.540(13.53) | 140 | Sklodowskite | (H3O)2Mg(UO2)2(SiO4)2·4(H2O) |
| 16.840(5.24) | 200 | 17.340(5.09) | 200 | 6.440(13.74) | 120 | Wavellite | Al3(PO4)2(OH,F)3·5(H2O) |
| 16.860(5.24) | 200 | 6.260(14.14) | 140 | 5.420(16.34) | 120 | Hastingsite | NaCa2(Fe++4Fe+++)Si6Al2O22(OH)2 |
| 16.864(5.24) | 200 | 6.324(13.99) | 132 | 4.770(18.59) | 54 | Brumadoite | Cu3(TeO4)(OH)4·5H2O |
| 16.880(5.23) | 200 | 6.260(14.14) | 160 | 4.690(18.91) | 82 | Fluoropargasite | NaCa2(Mg3Fe++Al)5(Si6Al2O22)F2 |
| 16.880(5.23) | 200 | 5.632(15.72) | 94 | 5.088(17.42) | 90 | Euchlorine | KNaCu++3(SO4)3O |
| 16.900(5.22) | 200 | 6.240(14.18) | 180 | 5.780(15.32) | 120 | Magnesioriebeckite | [ ]Na2[(Mg,Fe++)3Fe+++2]Si8O22(OH)2 |
| 16.920(5.22) | 200 | 6.940(12.74) | 40 | 8.440(10.47) | 36 | Wyartite | Ca3U++++(UO2)6(CO3)2(OH)18·3-5(H2O) |
| 16.940(5.21) | 200 | 7.220(12.25) | 170 | 4.220(21.03) | 140 | Meta-autunite | Ca(UO2)2(PO4)2·2-6(H2O) |
| 16.940(5.21) | 200 | 7.580(11.66) | 60 | 5.980(14.80) | 40 | Koninckite | Fe+++PO4·3(H2O) (?) |
| 16.940(5.21) | 200 | 6.510(13.59) | 146 | 9.492(9.31) | 130 | Lanthanite-(Ce) | (Ce,La)2(CO3)3·8(H2O) |
| 16.948(5.21) | 200 | 12.010(7.35) | 48 | 7.210(12.27) | 18 | Hydrochlorborite | Ca2B4O4(OH)7Cl·7(H2O) |
| 16.960(5.21) | 200 | 6.074(14.57) | 110 | 8.192(10.79) | 110 | Indialite | Mg2Al4Si5O18 |
| 16.960(5.21) | 200 | 5.428(16.32) | 104 | 6.568(13.47) | 80 | Potassic-magnesiohastingsite | (K,Na)Ca2(Mg,Fe++,Fe+++,Al)5(Si,Al)8O22(OH,Cl)2 |
| 16.980(5.20) | 200 | 12.020(7.35) | 180 | 6.146(14.40) | 140 | Metavanmeersscheite | U++++++(UO2)3(PO4)2(OH)6·2(H2O) |
| 17.000(5.19) | 200 | 8.500(10.40) | 182 | 8.360(10.57) | 46 | Chalcoalumite | CuAl4(SO4)(OH)12·3(H2O) |
| 17.000(5.19) | 200 | 6.504(13.60) | 126 | 6.076(14.57) | 116 | Lanthanite-(Nd) | (Nd,La)2(CO3)3·8(H2O) |
| 17.000(5.19) | 200 | 6.300(14.05) | 160 | 5.436(16.29) | 120 | Ferropargasite | NaCa2(Fe++4Al)Si6Al2O22(OH)2 |
| 17.000(5.19) | 200 | 4.708(18.83) | 80 | 8.496(10.40) | 66 | Zincowoodwardite-3R | [Zn1BxAlx(OH)2][(SO4)x/2·n(H2O)], 0.32 < x < 0.50, n = 0.59 |
| 17.020(5.19) | 200 | 5.240(16.91) | 50 | 6.280(14.09) | 36 | Simplotite | CaV++++4O9·5(H2O) |
| 17.020(5.19) | 200 | 8.440(10.47) | 160 | 6.520(13.57) | 120 | Metatyuyamunite | Ca(UO2)2V2O8·3(H2O) |
| 17.024(5.19) | 200 | 6.306(14.03) | 134 | 5.654(15.66) | 62 | Kozulite | NaNa2Mn++4(Fe+++,Al)Si8O22(OH)2 |
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