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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 |
| 5.324(16.64) | 200 | 4.070(21.82) | 160 | 4.580(19.36) | 160 | Fischesserite | Ag3AuSe2 |
| 5.324(16.64) | 200 | 5.354(16.54) | 200 | 4.836(18.33) | 190 | Arsenopyrite | FeAsS |
| 5.324(16.64) | 200 | 5.672(15.61) | 180 | 3.144(28.36) | 100 | Tomichite | (V,Fe)4Ti3AsO13(OH) |
| 5.324(16.64) | 200 | 8.772(10.08) | 200 | 9.466(9.34) | 200 | Flinkite | Mn++2Mn+++(AsO4)(OH)4 |
| 5.324(16.64) | 200 | 3.690(24.10) | 140 | 3.304(26.96) | 120 | Manganarsite | Mn++3As+++204(OH)4 |
| 5.326(16.63) | 200 | 5.460(16.22) | 200 | 4.518(19.63) | 160 | Bredigite | Ca7Mg(SiO4)4 |
| 5.326(16.63) | 200 | 3.374(26.39) | 160 | 6.360(13.91) | 160 | Zenzenite | Pb3(Fe+++,Mn+++)4Mn++++3O15 |
| 5.328(16.62) | 200 | 7.274(12.16) | 120 | 7.524(11.75) | 120 | Capgaronnite | HgAg(Cl,Br,I)S |
| 5.328(16.62) | 200 | 4.258(20.84) | 170 | 4.244(20.91) | 32 | Nanpingite | Cs(Al,Mg,Fe++,Li)2(Si3Al)O10(OH,F)2 |
| 5.328(16.62) | 200 | 5.170(17.14) | 140 | 10.700(8.26) | 140 | Hulsite | (Fe++,Mg)2(Fe+++,Sn)O2(BO3) |
| 5.330(16.62) | 200 | 5.822(15.21) | 200 | 3.119(28.60) | 146 | IMA2009-010 | [Ba6(PO4)2(CO3)][Fe++7(OH)4Fe+++2O2(SiO3)8] |
| 5.332(16.61) | 200 | 3.080(28.97) | 100 | 5.802(15.26) | 80 | Rondorfite | Ca8Mg(SiO4)4Cl2 |
| 5.332(16.61) | 200 | 8.516(10.38) | 150 | 10.112(8.74) | 132 | Juangodoyite | Na2Cu(CO3)2 |
| 5.332(16.61) | 200 | 5.172(17.13) | 80 | 7.274(12.16) | 80 | Monticellite | CaMgSiO4 |
| 5.332(16.61) | 200 | 6.114(14.48) | 190 | 12.640(6.99) | 190 | Oxammite | (NH4)2(C2O4)·(H2O) |
| 5.334(16.61) | 200 | 5.964(14.84) | 156 | 4.870(18.20) | 84 | IMA2009-026 | (Mn++,Ca)3(V+++,Al)2(SiO4)3 |
| 5.338(16.59) | 200 | 5.756(15.38) | 160 | 11.360(7.78) | 140 | Comancheite | Hg13(Cl,Br)8O9 |
| 5.338(16.59) | 200 | 6.428(13.76) | 106 | 10.666(8.28) | 74 | Ellisite | Tl3AsS3 |
| 5.338(16.59) | 200 | 7.820(11.31) | 120 | 3.576(24.88) | 100 | Jarosewichite | Mn++3Mn+++(AsO4)(OH)6 |
| 5.340(16.59) | 200 | 5.280(16.78) | 180 | 13.420(6.58) | 120 | Natrofairchildite | Na2Ca(CO3)2 |
| 5.340(16.59) | 200 | 6.500(13.61) | 120 | 6.240(14.18) | 100 | Ilimaussite-(Ce) | (Ba,Na)10K3Na4.5Ce5(Nb,Ti)6[Si12O36][Si9O18(O,OH)24]O6 |
| 5.340(16.59) | 200 | 5.400(16.40) | 200 | 6.240(14.18) | 200 | Harmotome | (Ba,Na,K)1-2(Si,Al)8O16·6(H2O) |
| 5.340(16.59) | 200 | 4.840(18.31) | 180 | 16.360(5.40) | 140 | Natrophosphate | Na7(PO4)2F·19(H2O) |
| 5.342(16.58) | 200 | 3.780(23.52) | 126 | 6.174(14.33) | 58 | Carobbiite | KF |
| 5.346(16.57) | 200 | 5.920(14.95) | 200 | 9.620(9.19) | 180 | Clinotyrolite | Ca2Cu9[(As,S)O4]4(OH)10·10(H2O) |
| 5.348(16.56) | 200 | 5.386(16.44) | 200 | 12.300(7.18) | 120 | Rosemaryite | (Na,Ca,Mn++)(Mn++,Fe++)(Fe+++,Fe++,Mg)Al(PO4)3 |
| 5.348(16.56) | 200 | 8.374(10.56) | 152 | 4.918(18.02) | 80 | Tychite | Na6Mg2(CO3)4(SO4) |
| 5.348(16.56) | 200 | 5.386(16.44) | 200 | 12.300(7.18) | 120 | Wyllieite | (Na,Ca,Mn++)(Mn++,Fe++)(Fe++,Fe+++,Mg)Al(PO4)3 |
| 5.348(16.56) | 200 | 5.386(16.44) | 200 | 12.300(7.18) | 120 | Ferrowyllieite | (Na,Ca,Mn)(Fe++,Mn)(Fe++,Fe+++,Mg)Al(PO4)3 |
| 5.348(16.56) | 200 | 7.546(11.72) | 180 | 16.072(5.49) | 170 | Abenakiite-(Ce) | Na26REE6(SiO3)6(PO4)6(CO3)6(S++++O2)O |
| 5.350(16.56) | 200 | 5.766(15.35) | 180 | 7.920(11.16) | 140 | Imhofite | Tl6CuAs16S40 |
| 5.350(16.56) | 200 | 6.004(14.74) | 132 | 16.220(5.44) | 112 | Fluoro-sodic-pedrizite | NaLi2(Mg2Al2Li)S5Si8O22F2 |
| 5.350(16.56) | 200 | 14.260(6.19) | 160 | 7.128(12.41) | 120 | Pyrosmalite-(Fe) | (Fe++,Mn)8Si6O15(OH,Cl)10 |
| 5.352(16.55) | 5.790(15.29) | 6.632(13.34) | Berdesinskiite | V+++2TiO5 | |||
| 5.352(16.55) | 200 | 5.260(16.84) | 128 | 3.840(23.14) | 72 | Jagueite | Cu2Pd3Se4 |
| 5.352(16.55) | 200 | 7.380(11.98) | 200 | 14.762(5.98) | 200 | Srebrodolskite | Ca2Fe+++2O5 |
| 5.352(16.55) | 200 | 6.460(13.70) | 120 | 19.600(4.50) | 120 | Johninnesite | Na2Mg4Mn++12(AsO4)2(Si12O35)(OH)6 |
| 5.354(16.54) | 200 | 5.386(16.44) | 150 | 6.896(12.83) | 130 | Ferrorosemaryite | [ ]NaFe++Fe+++Al(PO4)3 |
| 5.360(16.53) | 200 | 8.360(10.57) | 180 | 4.940(17.94) | 160 | Ferrotychite | Na6Fe++2(SO4)(CO3)4 |
| 5.360(16.53) | 200 | 5.800(15.26) | 200 | 5.380(16.46) | 140 | Epidote | Ca2(Fe+++,Al)3(SiO4)3(OH) = Ca2(Fe,Al)Al2(SiO4)(Si2O7)O(OH) |
| 5.360(16.53) | 200 | 6.620(13.36) | 170 | 8.520(10.37) | 170 | Itoigawaite | SrAl2Si2O7(OH)2·(H2O) |
| 5.360(16.53) | 200 | 4.160(21.34) | 80 | 11.800(7.49) | 64 | Molysite | Fe+++Cl3 |
| 5.360(16.53) | 200 | 9.520(9.28) | 162 | 5.312(16.68) | 100 | Reppiaite | Mn++5[(V,As)O4]2(OH)4 |
| 5.362(16.52) | 200 | 5.692(15.56) | 160 | 3.165(28.17) | 100 | Graeserite | (Fe+++,Ti)4Ti3AsO13(OH) |
| 5.368(16.50) | 200 | 5.998(14.76) | 140 | 3.206(27.80) | 120 | Uvarovite | Ca3Cr2(SiO4)3 |
| 5.370(16.49) | 200 | 6.944(12.74) | 180 | 5.024(17.64) | 180 | Qingheiite | Na2(Mn++,Mg,Fe++)(Al,Fe+++)(PO4)3 |
| 5.372(16.49) | 200 | 5.186(17.08) | 150 | 6.840(12.93) | 120 | Hagendorfite | NaCaMn(Fe++,Fe+++,Mg)2(PO4)3 |
| 5.372(16.49) | 200 | 6.006(14.74) | 84 | 4.904(18.07) | 78 | Wadalite | Ca6Al5Si2O16Cl3 |
| 5.373(16.48) | 200 | 5.342(16.58) | 130 | 5.306(16.69) | 94 | Merwinite | Ca3Mg(SiO4)2 |
| 5.374(16.48) | 200 | 21.300(4.14) | 120 | 6.158(14.37) | 110 | Nyboite | NaNa2(Mg3Al2)Si7AlO22(OH)2 |
| 5.374(16.48) | 200 | 6.754(13.10) | 160 | 8.870(9.96) | 160 | IMA2009-012 | NaNa2(Mg2Al2Li)Si8O22F2 |
| 5.376(16.48) | 200 | 6.010(14.73) | 130 | 3.214(27.73) | 98 | Goldmanite | Ca3(V,Al,Fe+++)2(SiO4)3 |
| 5.376(16.48) | 200 | 5.992(14.77) | 138 | 5.926(14.94) | 96 | Schlegelite | Bi7O4(MoO4)2(AsO4)3 |
| 5.380(16.46) | 200 | 6.020(14.70) | 140 | 3.220(27.68) | 100 | Yamatoite | (Mn++,Ca)3(V+++,Al)2(SiO4)3 |
| 5.380(16.46) | 200 | 5.740(15.42) | 130 | 8.060(10.97) | 100 | Zoisite | Ca2Al3(SiO4)3(OH) = Ca2AlAl2(SiO4)(Si2O7)O(OH) |
| 5.380(16.46) | 200 | 3.380(26.35) | 120 | 5.020(17.65) | 100 | Hematite | Fe2O3 |
| 5.380(16.46) | 200 | 6.076(14.57) | 80 | 6.260(14.14) | 74 | Hillite | Ca2(Zn, Mg)[PO4]2·2(H2O) |
| 5.382(16.46) | 200 | 5.720(15.48) | 200 | 5.920(14.95) | 200 | Thomsonite-Sr | (Sr,Ca)2Na[Al5Si5O20]·7(H2O) |
| 5.382(16.46) | 200 | 16.614(5.31) | 128 | 6.158(14.37) | 116 | Fluoronyboite | NaNa2(Al2Mg3)(Si7Al)O22(F,OH)2 |
| 5.384(16.45) | 200 | 5.580(15.87) | 110 | 4.480(19.80) | 90 | Carbonate-fluorapatite | Ca5(PO4,CO3)3F |
| 5.386(16.44) | 200 | 6.024(14.69) | 200 | 4.744(18.69) | 160 | Staurolite | (Fe++,Mg)2Al9(Si,Al)4O20(O,OH)4 |
| 5.386(16.44) | 200 | 6.220(14.23) | 160 | 16.760(5.27) | 130 | Kaersutite | NaCa2(Mg4Ti)Si6Al2O23(OH)2 |
| 5.388(16.44) | 200 | 24.000(3.68) | 200 | 5.196(17.05) | 110 | Eggletonite | Na2Mn8[Si11AlO29](OH)7·11(H2O) |
| 5.390(16.43) | 200 | 8.440(10.47) | 152 | 4.948(17.91) | 140 | Manganotychite | Na6(Mn++,Fe++,Mg)2(SO4)(CO3)4 |
| 5.390(16.43) | 200 | 5.576(15.88) | 100 | 5.634(15.72) | 100 | Harstigite | Ca6MnBe4(SiO4)2(Si2O7)2(OH)2 |
| 5.392(16.43) | 200 | 3.222(27.66) | 120 | 6.030(14.68) | 120 | Andradite | Ca3Fe+++2(SiO4)3 |
| 5.394(16.42) | 200 | 4.030(22.04) | 180 | 5.800(15.26) | 160 | Teepleite | Na2B(OH)4Cl |
| 5.394(16.42) | 200 | 5.084(17.43) | 180 | 6.254(14.15) | 160 | Dellaventuraite | NaNa2(Mg2,Mn+++,Li,Ti)Si8O22O2 |
| 5.394(16.42) | 200 | 16.762(5.27) | 184 | 6.208(14.26) | 138 | Alumino-magnesiotaramite | Na(CaNa)(Mg3Al2)(Si6Al2)O22(OH)2 |
| 5.396(16.41) | 200 | 5.820(15.21) | 180 | 5.244(16.89) | 120 | Dissakisite-(Ce) | Ca(Ce,REE)(Mg,Fe++)(Al,Fe+++)2Si3O12(OH) |
| 5.398(16.41) | 200 | 4.441(19.98) | 68 | 6.655(13.29) | 60 | Empressite | AgTe |
| 5.400(16.40) | 200 | 16.680(5.29) | 164 | 6.188(14.30) | 134 | Fluoro-alumino-magnesiotaramite | Na(CaNa)(Mg3Al2)(Si6Al2)O22F2 |
| 5.400(16.40) | 200 | 10.600(8.33) | 200 | 8.160(10.83) | 110 | Kermesite | Sb2S2O |
| 5.400(16.40) | 200 | 6.060(14.61) | 190 | 5.340(16.59) | 158 | Cassidyite | Ca2(Ni,Mg)(PO4)2·2(H2O) |
| 5.400(16.40) | 200 | 5.660(15.64) | 200 | 6.120(14.46) | 200 | Saneroite | Na2(Mn++,Fe+++)10Si11V+++++O34(OH)4 |
| 5.400(16.40) | 200 | 5.060(17.51) | 180 | 16.800(5.26) | 180 | Winchite | [ ](CaNa)Mg4(Al,Fe3+)Si8O22(OH)2 |
| 5.400(16.40) | 200 | 3.820(23.27) | 100 | 5.440(16.28) | 80 | Perovskite | CaTiO3 |
| 5.400(16.40) | 200 | 11.500(7.68) | 200 | 4.890(18.13) | 180 | Claringbullite | Cu++4(OH)7Cl |
| 5.400(16.40) | 200 | 4.030(22.04) | 160 | 3.612(24.63) | 120 | Sederholmite | NiSe |
| 5.402(16.40) | 200 | 16.688(5.29) | 196 | 6.784(13.04) | 148 | Ferriwhittakerite | Na(NaLi)(Mg2Fe+++2Li)Si8O22(OH)2 |
| 5.402(16.40) | 200 | 5.292(16.74) | 130 | 5.334(16.61) | 120 | Spurrite | Ca5(SiO4)2(CO3) |
| 5.404(16.39) | 200 | 3.774(23.55) | 160 | 6.300(14.05) | 160 | Trechmannite | AgAsS2 |
| 5.404(16.39) | 200 | 3.301(26.99) | 60 | 4.700(18.87) | 30 | Abswurmbachite | Cu++Mn+++6SiO12 |
| 5.406(16.38) | 200 | 12.480(7.08) | 140 | 6.170(14.34) | 110 | Ferroalluaudite | NaCaFe++(Fe++,Mn,Fe+++,Mg)2(PO4)3 |
| 5.406(16.38) | 200 | 5.751(15.39) | 180 | 5.579(15.87) | 160 | Heneuite | CaMg5(PO4)3(CO3)(OH) |
| 5.408(16.38) | 200 | 8.786(10.06) | 180 | 10.120(8.73) | 180 | Orientite | Ca2Mn++Mn+++2Si3O10(OH)4 |
| 5.412(16.37) | 200 | 4.892(18.12) | 160 | 16.220(5.44) | 140 | Lesukite | Al2(OH)5Cl·2(H2O) |
| 5.416(16.35) | 200 | 6.246(14.17) | 150 | 6.772(13.06) | 134 | Parvo-mangano-edenite | Na(CaMn)2Mg5(Si7Al)O22(OH)2 |
| 5.418(16.35) | 200 | 3.516(25.31) | 160 | 4.838(18.32) | 160 | Viaeneite | (Fe,Pb)4S8O |
| 5.418(16.35) | 200 | 5.678(15.59) | 170 | 14.560(6.07) | 140 | Ilvaite | CaFe++2Fe+++Si2O7O(OH) |
| 5.418(16.35) | 200 | 10.100(8.75) | 160 | 3.378(26.36) | 140 | Natisite | Na2(TiO)SiO4 |
| 5.420(16.34) | 200 | 3.520(25.28) | 126 | 6.880(12.86) | 80 | Marcasite | FeS2 |
| 5.420(16.34) | 200 | 3.900(22.78) | 190 | 5.920(14.95) | 190 | Matsubaraite | Sr4TiTi4Si4O22 |
| 5.420(16.34) | 200 | 5.520(16.04) | 200 | 7.800(11.33) | 120 | Hematophanite | Pb4Fe+++3O8(OH,Cl) |
| 5.420(16.34) | 200 | 6.180(14.32) | 160 | 15.820(5.58) | 140 | Scheuchzerite | Na(Mn,Mg)9[VSi9O28(OH)](OH)3 |
| 5.420(16.34) | 200 | 6.380(13.87) | 140 | 8.500(10.40) | 140 | Gismondine | Ca2Al4Si4O16·9(H2O) |
| 5.420(16.34) | 200 | 6.020(14.70) | 180 | 8.260(10.70) | 160 | Galileiite | NaFe++4(PO4)3 |
| 5.420(16.34) | 200 | 6.280(14.09) | 200 | 6.340(13.96) | 200 | Chevkinite-(Ce) | (Ce,La,Ca,Th)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22 |
| 5.420(16.34) | 200 | 5.072(17.47) | 184 | 6.808(12.99) | 114 | Fluoro-ferroleakeite | NaNa2(Fe++2Fe+++2Li)Si8O22F2 |
| 5.424(16.33) | 200 | 6.046(14.64) | 180 | 4.954(17.89) | 160 | Krutaite | CuSe2 |