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.
D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
6.010(14.73) | 200 | 6.190(14.30) | 170 | 5.790(15.29) | 130 | Tilleyite | Ca5Si2O7(CO3)2 |
6.012(14.72) | 200 | 6.534(13.54) | 142 | 6.084(14.55) | 132 | Tiragalloite | Mn++4As+++++Si3O12(OH) |
6.012(14.72) | 200 | 7.010(12.62) | 200 | 12.400(7.12) | 200 | Grumantite | NaHSi2O5·(H2O) |
6.012(14.72) | 200 | 5.614(15.77) | 170 | 12.000(7.36) | 140 | Bassanite | 2CaSO4·(H2O) |
6.014(14.72) | 200 | 5.420(16.34) | 140 | 10.200(8.66) | 120 | Panethite | (Na,Ca,K)2(Mg,Fe++,Mn)2(PO4)2 |
6.016(14.71) | 200 | 11.440(7.72) | 180 | 6.746(13.11) | 120 | Deanesmithite | Hg+2Hg++3Cr++++++O5S2 |
6.018(14.71) | 200 | 5.862(15.10) | 138 | 5.940(14.90) | 72 | Nioboaeschynite-(Y) | [(Y,REE),Ca,Th,Fe](Nb,Ti,Ta)2(O,OH)6 |
6.018(14.71) | 200 | 28.980(3.05) | 180 | 9.630(9.18) | 160 | Kukisvumite | Na6ZnTi4Si8O28·4(H2O) |
6.019(14.71) | 200 | 5.369(16.50) | 140 | 6.385(13.86) | 82 | Arrojadite-(SrFe) | SrFe++Na2Ca(Fe++,Mn,Mg)13Al(PO4)11(PO3OH)(OH,F)2 |
6.020(14.70) | 200 | 3.700(24.03) | 50 | 5.220(16.97) | 36 | Bindheimite | Pb2Sb2O6(O,OH) |
6.020(14.70) | 200 | 6.280(14.09) | 180 | 12.060(7.32) | 160 | Stibiomicrolite | (Sb,Ca,Na)2(Ta,Nb)2(O,OH)7 |
6.020(14.70) | 200 | 3.666(24.26) | 140 | 5.200(17.04) | 140 | Bismutostibiconite | Bi(Sb+++++,Fe+++)2O7 |
6.020(14.70) | 200 | 6.362(13.91) | 102 | 5.356(16.54) | 84 | Arrojadite-(BaFe) | (Ba,K,Pb)Na3(Ca,Sr)(Fe++,Mg,Mn)14Al(PO4)11(PO3OH)(OH,F)2 |
6.020(14.70) | 200 | 5.960(14.85) | 180 | 12.620(7.00) | 160 | Baylissite | K2Mg(CO3)2·4(H2O) |
6.020(14.70) | 200 | 5.420(16.34) | 160 | 3.576(24.88) | 60 | Maslovite | PtBiTe |
6.020(14.70) | 200 | 6.482(13.65) | 140 | 6.746(13.11) | 110 | Brandtite | Ca2(Mn,Mg)(AsO4)2·2(H2O) |
6.020(14.70) | 200 | 11.600(7.61) | 160 | 7.080(12.49) | 140 | Weilerite | BaAl3H[(As,P)O4]2(OH)6 |
6.020(14.70) | 200 | 6.320(14.00) | 140 | 5.634(15.72) | 80 | Gorgeyite | K2Ca5(SO4)6·(H2O) |
6.020(14.70) | 200 | 5.168(17.14) | 110 | 7.660(11.54) | 100 | Taramellite | Ba4(Fe+++,Ti,Fe++,Mg)4(B2Si8O27)O2Clx (x=0 to 1) |
6.020(14.70) | 200 | 3.688(24.11) | 180 | 3.146(28.35) | 160 | Tantite | Ta2O5 |
6.020(14.70) | 200 | 3.940(22.55) | 150 | 4.380(20.26) | 140 | Strontiochevkinite | (Sr,REE)4Fe(Ti,Zr)2Ti2Si4O22 |
6.020(14.70) | 200 | 5.508(16.08) | 120 | 6.340(13.96) | 120 | Mazzettiite | Ag3HgPbSbTe5 |
6.020(14.70) | 200 | 5.826(15.20) | 180 | 6.380(13.87) | 180 | Lithiomarsturite | LiCa2Mn2HSi5O15 |
6.020(14.70) | 200 | 5.168(17.14) | 110 | 7.660(11.54) | 100 | Titantaramellite | Ba4(Ti,Fe+++,Fe++,Mg)4(B2Si8O27)O2Clx X=0 TO 1, with Ti > Fe |
6.020(14.70) | 200 | 3.680(24.16) | 160 | 3.150(28.31) | 120 | Uranpyrochlore | (U,Ca,Ce)2(Nb,Ta)2O6(OH,F) |
6.020(14.70) | 200 | 4.200(21.14) | 120 | 3.542(25.12) | 40 | Cherepanovite | RhAs |
6.020(14.70) | 200 | 5.700(15.53) | 120 | 5.780(15.32) | 120 | Niocalite | Ca14Nb2(Si2O7)4O6F2 |
6.022(14.70) | 200 | 6.744(13.12) | 154 | 5.500(16.10) | 124 | Brendelite | (Bi,Pb)2Fe(PO4)(O,OH)3 |
6.022(14.70) | 200 | 4.912(18.04) | 160 | 5.094(17.39) | 160 | Nchwaningite | Mn++2SiO3(OH)2·(H2O) |
6.022(14.70) | 200 | 20.300(4.35) | 176 | 6.638(13.33) | 150 | Cerchiaraite | Ba4(Mn,Fe,Al)4Si6(O,OH,Cl)26 |
6.024(14.69) | 200 | 5.930(14.93) | 160 | 7.890(11.21) | 120 | Perroudite | Hg5Ag4S5(I,Br)2Cl2 |
6.028(14.68) | 200 | 5.640(15.70) | 130 | 6.038(14.66) | 102 | Omongwaite | Na2Ca5(SO4)6·3H2O |
6.028(14.68) | 200 | 6.300(14.05) | 38 | 5.568(15.90) | 36 | Riversideite | Ca5Si6O16(OH)2·2(H2O) |