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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.
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 6.318(14.01) | 200 | 6.232(14.20) | 180 | 6.168(14.35) | 160 | Grandreefite | Pb2SO4F2 |
| 6.318(14.01) | 200 | 5.038(17.59) | 162 | 5.884(15.04) | 134 | Cabalzarite | Ca(Mg,Al,Fe++)2(AsO4)2(H2O,OH)2 |
| 6.318(14.01) | 200 | 5.498(16.11) | 100 | 5.966(14.84) | 100 | Johntomaite | Ba(Fe++,Ca,Mn++)2Fe+++2(PO4)3(OH)3 |
| 6.320(14.00) | 200 | 5.020(17.65) | 170 | 14.040(6.29) | 120 | Tsepinite-Ca | (Ca,K,Na,[ ])2(Ti,Nb)2(Si4O12)(OH,O)2·4(H2O) |
| 6.320(14.00) | 200 | 6.940(12.74) | 140 | 5.620(15.76) | 100 | Axinite-(Mn) | Ca2Mn++Al2BO3Si4O12(OH) |
| 6.320(14.00) | 200 | 12.620(7.00) | 56 | 13.860(6.37) | 52 | Lemmleinite-Ba | Na2K2Ba1-xTi4(Si4O12)2(O,OH)4·5(H2O) |
| 6.320(14.00) | 200 | 11.460(7.71) | 140 | 3.804(23.37) | 120 | Sphaerobismoite | Bi2O3 |
| 6.320(14.00) | 200 | 3.880(22.90) | 160 | 3.320(26.83) | 120 | Roquesite | CuInS2 |
| 6.320(14.00) | 200 | 7.160(12.35) | 150 | 6.720(13.16) | 120 | Greenockite | CdS |
| 6.320(14.00) | 200 | 5.790(15.29) | 190 | 8.140(10.86) | 170 | Berezanskite | KLi3Ti2Si12O30 |
| 6.320(14.00) | 200 | 12.140(7.28) | 110 | 6.080(14.56) | 90 | Trippkeite | CuAs+++2O4 |
| 6.320(14.00) | 200 | 8.764(10.08) | 160 | 19.160(4.61) | 150 | Malhmoodite | FeZr(PO4)2·4(H2O) |
| 6.320(14.00) | 200 | 24.400(3.62) | 140 | 3.566(24.95) | 94 | Komarovite | (Ca,Mn)2(Nb,Ti)2Si2O7(O,F)2·3.5(H2O) |
| 6.320(14.00) | 200 | 24.820(3.56) | 140 | 5.446(16.26) | 120 | Ehrleite | Ca2ZnBe(PO4)2(PO3,OH)·4(H2O) |
| 6.320(14.00) | 200 | 7.560(11.70) | 120 | 3.840(23.14) | 100 | Radhakrishnaite | PbTe3(Cl,S)2 |
| 6.320(14.00) | 200 | 4.340(20.45) | 100 | 4.600(19.28) | 80 | Joseite-B | Bi4(S,Te)3 |
| 6.320(14.00) | 200 | 5.652(15.67) | 160 | 5.222(16.96) | 120 | Baddeleyite | ZrO2 |
| 6.320(14.00) | 200 | 5.180(17.10) | 140 | 8.260(10.70) | 140 | Adelite | CaMg(AsO4)(OH) |
| 6.320(14.00) | 200 | 3.660(24.30) | 160 | 7.740(11.42) | 140 | Uranosphaerite | Bi(UO2)O2(OH) |
| 6.320(14.00) | 200 | 5.500(16.10) | 100 | 6.120(14.46) | 90 | Wherryite | Pb7Cu2(SO4)4(SiO4)2(OH)2 |
| 6.320(14.00) | 200 | 5.040(17.58) | 140 | 7.900(11.19) | 120 | Daqingshanite-(Ce) | (Sr,Ca,Ba)3(Ce,La)(PO4)(CO3)3-x(OH,F)x |
| 6.320(14.00) | 200 | 3.858(23.03) | 180 | 3.290(27.08) | 160 | Gruzdevite | Cu6Hg3Sb4S12 |
| 6.320(14.00) | 200 | 5.430(16.31) | 126 | 3.744(23.75) | 72 | Edgarbaileyite | Hg+6Si2O7 |
| 6.320(14.00) | 200 | 4.640(19.11) | 120 | 4.320(20.54) | 100 | Sulphotsumoite | Bi3Te2S |
| 6.322(14.00) | 200 | 4.636(19.13) | 180 | 9.770(9.04) | 180 | Sphaerobertrandite | Be3SiO4(OH)2 |
| 6.322(14.00) | 200 | 6.772(13.06) | 140 | 4.932(17.97) | 62 | Eirikite | KNa6Be2(Si15Al3)O39F2 |
| 6.322(14.00) | 200 | 5.464(16.21) | 160 | 17.020(5.19) | 140 | Arfvedsonite | NaNa2(Fe++4Fe+++)Si8O22(OH)2 |
| 6.322(14.00) | 200 | 7.168(12.34) | 200 | 7.288(12.13) | 200 | Friedrichite | Pb5Cu5Bi7S18 |
| 6.324(13.99) | 200 | 7.786(11.36) | 160 | 7.920(11.16) | 130 | Boggildite | Sr2Na2Al2(PO4)F9 |
| 6.324(13.99) | 200 | 6.764(13.08) | 150 | 8.298(10.65) | 100 | Telyushenkoite | CsNa6[Be2(Si,Al)18O39F2] |
| 6.326(13.99) | 200 | 5.948(14.88) | 140 | 6.174(14.33) | 130 | Mongolite | Ca4Nb6Si5O24(OH)10·5(H2O) |
| 6.326(13.99) | 200 | 6.148(14.39) | 160 | 6.796(13.02) | 160 | Eudidymite | NaBeSi3O7(OH) |
| 6.328(13.98) | 200 | 7.266(12.17) | 160 | 5.544(15.97) | 140 | Paxite | CuAs2 |
| 6.328(13.98) | 200 | 5.868(15.09) | 180 | 3.468(25.67) | 160 | Bismutocolumbite | Bi(Nb,Ta)O4 |
| 6.328(13.98) | 200 | 8.282(10.67) | 194 | 3.940(22.55) | 76 | Calomel | Hg2Cl2 |
| 6.328(13.98) | 200 | 5.164(17.16) | 74 | 4.890(18.13) | 72 | Phosphovanadylite | (Ba,Ca,K,Na)x[(V,Al)4P2(O,OH)16]·12(H2O) x~0.66 |
| 6.330(13.98) | 200 | 3.876(22.93) | 160 | 5.482(16.15) | 140 | Winstanleyite | TiTe++++3O8 |
| 6.332(13.97) | 200 | 5.958(14.86) | 120 | 6.208(14.26) | 106 | Perloffite | Ba(Mn,Fe++)2Fe+++2(PO4)3(OH)3 |
| 6.334(13.97) | 200 | 5.636(15.71) | 120 | 9.502(9.30) | 120 | Embreyite | Pb5(CrO4)2(PO4)2·(H2O) |
| 6.334(13.97) | 200 | 5.006(17.70) | 180 | 9.748(9.06) | 180 | Sewardite | CaFe+++2(AsO4)2(OH)2 |
| 6.334(13.97) | 200 | 3.878(22.91) | 140 | 3.324(26.80) | 100 | Cernyite | Cu2CdSnS4 |
| 6.334(13.97) | 200 | 5.744(15.41) | 170 | 4.988(17.77) | 100 | Enstatite | Mg2Si2O6 |
| 6.334(13.97) | 200 | 6.164(14.36) | 180 | 10.126(8.73) | 120 | Carlfriesite | CaTe++++2Te++++++O8 |
| 6.336(13.97) | 200 | 5.150(17.20) | 180 | 4.828(18.36) | 150 | Plimerite | ZnFe+++4(PO4)3(OH)5 |
| 6.336(13.97) | 200 | 3.844(23.12) | 94 | 5.914(14.97) | 86 | Apuanite | Fe++Fe+++4Sb+++4O12S |
| 6.338(13.96) | 200 | 5.170(17.14) | 116 | 13.900(6.35) | 112 | Labuntsovite-Fe | Na4K4(Ba,K)2(Fe,Mg,Mn)1+xTi8(Si4O12)4(O,OH)8·10(H2O) |
| 6.340(13.96) | 200 | 8.080(10.94) | 190 | 8.580(10.30) | 190 | Loweite | Na12Mg7(SO4)13·15(H2O) |
| 6.340(13.96) | 200 | 12.680(6.97) | 200 | 6.040(14.65) | 160 | Messelite | Ca2(Fe++,Mn)(PO4)2·2(H2O) |
| 6.340(13.96) | 200 | 3.318(26.85) | 180 | 4.900(18.09) | 180 | Orthobrannerite | U++++U++++++Ti4O12(OH)2 |
| 6.340(13.96) | 200 | 6.020(14.70) | 120 | 5.660(15.64) | 100 | Larsenite | PbZnSiO4 |
| 6.340(13.96) | 200 | 8.992(9.83) | 144 | 3.228(27.61) | 82 | Gottlobite | CaMg(VO4,AsO4)(OH) |
| 6.340(13.96) | 200 | 3.220(27.68) | 180 | 6.640(13.32) | 160 | Mackayite | Fe+++Te2O5(OH) |
| 6.340(13.96) | 200 | 3.882(22.89) | 160 | 3.342(26.65) | 80 | Velikite | Cu2HgSnS4 |
| 6.340(13.96) | 200 | 3.390(26.27) | 170 | 3.456(25.76) | 170 | Thorutite | (Th,U,Ca)Ti2(O,OH)6 |
| 6.340(13.96) | 200 | 7.320(12.08) | 180 | 7.180(12.32) | 160 | Aikinite | PbCuBiS3 |
| 6.340(13.96) | 200 | 5.576(15.88) | 134 | 19.002(4.65) | 106 | Skorpionite | Ca3Zn2(PO4)2CO3(OH)2·H2O |
| 6.340(13.96) | 200 | 6.198(14.28) | 70 | 6.420(13.78) | 64 | Plumbotellurite | PbTe++++O3 |
| 6.340(13.96) | 200 | 14.000(6.31) | 180 | 12.660(6.98) | 160 | Kuzmenkoite-Mn | (K,Na)2(Mn,Fe)(Ti,Nb)4[Si4O12]2(OH)4·5(H2O) |
| 6.340(13.96) | 200 | 5.318(16.66) | 160 | 5.710(15.51) | 160 | Reyerite | (Na,K)4Ca14Si22Al2O58(OH)8·6(H2O) |
| 6.346(13.94) | 200 | 14.722(6.00) | 200 | 5.836(15.17) | 160 | Luddenite | Pb2Cu2Si5O14·14(H2O) |
| 6.348(13.94) | 200 | 4.214(21.06) | 188 | 7.364(12.01) | 160 | Sokolovaite | CsLi2AlSi4O10F2 |
| 6.348(13.94) | 200 | 5.836(15.17) | 76 | 3.460(25.73) | 42 | Paramelaconite | Cu+2Cu++2O3 |
| 6.350(13.93) | 200 | 3.316(26.86) | 90 | 3.888(22.85) | 88 | Walfordite | (Fe+++,Te++++++)Te++++3O8 |
| 6.350(13.93) | 200 | 6.186(14.31) | 114 | 6.166(14.35) | 110 | Labuntsovite-Mg | Na4K4(Ba,K)(Mg,Fe)1+xTi8(Si4O12)4(O,OH)8·10(H2O) |
| 6.352(13.93) | 200 | 6.422(13.78) | 60 | 7.504(11.78) | 60 | Albite | NaAlSi3O8 |
| 6.358(13.92) | 200 | 6.848(12.92) | 142 | 10.090(8.76) | 120 | IMA2008-056 | NaMn++Fe+++5(PO4)4(OH)6·2H2O |
| 6.360(13.91) | 200 | 5.769(15.35) | 140 | 7.380(11.98) | 60 | Friedrichbeckeite | K([ ],Na)Mg2(Be2Mg)Si12O30 |
| 6.360(13.91) | 200 | 14.160(6.24) | 180 | 14.240(6.20) | 180 | Merlinoite | (K,Ca,Na,Ba)7Si23Al9O64·23(H2O) |
| 6.360(13.91) | 200 | 2.530(35.45) | 160 | 3.898(22.79) | 140 | Tveitite-(Y) | Ca1-xYxF2+x, x~0.3 |
| 6.360(13.91) | 200 | 5.448(16.26) | 160 | 8.500(10.40) | 140 | Phosphoferrite | (Fe++,Mn)3(PO4)2·3(H2O) |
| 6.360(13.91) | 200 | 8.040(11.00) | 180 | 7.600(11.63) | 160 | Orthoclase | KAlSi3O8 |
| 6.360(13.91) | 200 | 3.270(27.25) | 160 | 2.980(29.96) | 120 | Queitite | Pb4Zn2(SiO4)(Si2O7)(SO4) |
| 6.360(13.91) | 200 | 6.420(13.78) | 140 | 7.520(11.76) | 140 | Labradorite | (Ca,Na)(Si,Al)4O8 |
| 6.360(13.91) | 200 | 2.760(32.41) | 150 | 6.700(13.20) | 130 | Kyanite | Al2SiO5 = Al[6]Al[6]OSiO4 |
| 6.360(13.91) | 200 | 5.792(15.28) | 120 | 8.060(10.97) | 20 | Donpeacorite | (Mn,Mg)MgSi2O6 |
| 6.360(13.91) | 200 | 6.280(14.09) | 136 | 8.940(9.89) | 114 | Munakataite | Pb2Cu2(Se++++O3)(SO4)(OH)4 |
| 6.360(13.91) | 200 | 8.020(11.02) | 160 | 4.980(17.80) | 80 | Liandratite | U++++++(Nb,Ta)2O8 |
| 6.360(13.91) | 200 | 3.816(23.29) | 70 | 5.034(17.60) | 50 | Margarite | CaAl2(Al2Si2)O10(OH)2 |
| 6.362(13.91) | 200 | 5.716(15.49) | 116 | 3.428(25.97) | 64 | Bobdownsite | Ca9Mg(PO3F)(PO4)6 |
| 6.362(13.91) | 200 | 12.100(7.30) | 60 | 11.820(7.47) | 40 | Sassolite | H3BO3 |
| 6.364(13.90) | 200 | 11.760(7.51) | 130 | 23.800(3.71) | 116 | Paravinogradovite | (Na,[ ])2(Ti,Fe+++)4(Si2O6)2(Si3AlO10)(OH)4·H2O |
| 6.364(13.90) | 200 | 6.968(12.69) | 142 | 18.154(4.86) | 121 | Direnzoite | NaK6MgCa2(Al13Si47O120)·36H2O |
| 6.366(13.90) | 200 | 7.080(12.49) | 180 | 5.796(15.27) | 160 | Barberiite | (NH4)BF4 |
| 6.372(13.89) | 200 | 6.200(14.27) | 192 | 13.880(6.36) | 122 | Lemmleinite-K | NaK2(Ti,Nb)2Si4O12(O,OH)2·2(H2O) |
| 6.372(13.89) | 200 | 6.602(13.40) | 150 | 17.120(5.16) | 150 | Richterite | Na(CaNa)(Mg,Fe++)5[Si8O22](OH)2 |
| 6.372(13.89) | 200 | 19.200(4.60) | 120 | 7.034(12.57) | 90 | Neptunite | KNa2Li(Fe++,Mn)2Ti2Si8O24 |
| 6.372(13.89) | 200 | 5.476(16.17) | 124 | 7.820(11.31) | 88 | Bussenite | Na2(Ba,Sr)2(Fe,Mn)TiSi2O7(CO3)(OH)3F |
| 6.374(13.88) | 200 | 5.452(16.24) | 180 | 5.576(15.88) | 160 | IMA2008-054 | NaCaMn2(PO4)[PO3(OH)]2 |
| 6.374(13.88) | 200 | 3.902(22.77) | 180 | 3.330(26.75) | 160 | Chameanite | (Cu,Fe)4As(Se,S)4 |
| 6.376(13.88) | 200 | 6.270(14.11) | 190 | 6.494(13.62) | 174 | Petitjeanite | Bi+++3(PO4)2O(OH) |
| 6.380(13.87) | 200 | 6.680(13.24) | 146 | 8.740(10.11) | 134 | Mutnovskite | Pb2AsS3(I,Cl,Br) |
| 6.380(13.87) | 200 | 6.180(14.32) | 182 | 13.840(6.38) | 150 | Kuzmenkoite-Zn | K2Zn(Ti,Nb)4(Si4O12)2(OH,O)4·6-8(H2O) |
| 6.380(13.87) | 200 | 4.000(22.21) | 160 | 4.100(21.66) | 160 | Fluocerite-(Ce) | (Ce,La)F3 |
| 6.380(13.87) | 200 | 7.270(12.16) | 190 | 5.460(16.22) | 80 | Chrombismite | Bi16CrO27 |
| 6.380(13.87) | 200 | 4.440(19.98) | 180 | 4.920(18.01) | 180 | Redledgeite | BaTi6Cr+++2O16·(H2O) |
| 6.380(13.87) | 200 | 2.096(43.12) | 140 | 4.140(21.45) | 120 | Fluocerite-(La) | (La,Ce)F3 |
| 6.380(13.87) | 200 | 8.280(10.68) | 120 | 4.722(18.78) | 80 | Olmiite | CaMn[SiO3(OH)](OH) |
| 6.380(13.87) | 200 | 5.280(16.78) | 160 | 13.280(6.65) | 100 | Fairchildite | K2Ca(CO3)2 |
| 6.380(13.87) | 200 | 3.922(22.65) | 140 | 3.306(26.95) | 100 | Bambollaite | Cu(Se,Te)2 |
| 6.380(13.87) | 200 | 9.220(9.58) | 134 | 7.220(12.25) | 80 | Cancrinite | Na6Ca2Al6Si6O24(CO3)2 |