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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 |
| 5.440(16.28) | 200 | 16.960(5.21) | 162 | 5.220(16.97) | 118 | Potassic-ferropargasite | KCa2(Fe++4Al)Si6Al2O22(OH)2 |
| 5.440(16.28) | 200 | 3.654(24.34) | 180 | 4.900(18.09) | 160 | Glaucodot | (Co,Fe)AsS |
| 5.440(16.28) | 200 | 3.312(26.90) | 140 | 4.280(20.74) | 100 | Braunite-I | Mn++Mn+++6SiO12 |
| 5.440(16.28) | 200 | 16.560(5.33) | 180 | 18.000(4.91) | 180 | Manganocummingtonite | Na(Na,Mn)2(Mg4,Fe+++)5Si8O22(OH)2 |
| 5.440(16.28) | 200 | 5.560(15.93) | 200 | 6.120(14.46) | 160 | Tundrite-(Ce) | Na2Ce2TiO2(SiO4)(CO3)2 |
| 5.440(16.28) | 200 | 5.200(17.04) | 160 | 7.440(11.89) | 140 | Natrophilite | NaMnPO4 |
| 5.440(16.28) | 200 | 3.314(26.88) | 180 | 2.842(31.45) | 160 | Bixbyite | (Mn+++,Fe+++)2O3 |
| 5.440(16.28) | 200 | 17.800(4.96) | 200 | 6.580(13.45) | 180 | Kolfanite | Ca2Fe+++3O2(AsO4)3·2(H2O) |
| 5.440(16.28) | 200 | 16.840(5.24) | 200 | 6.180(14.32) | 160 | Riebeckite | [ ]Na2(Fe++3Fe+++2)Si8O22(OH)2 |
| 5.440(16.28) | 200 | 7.580(11.66) | 180 | 3.820(23.27) | 160 | Buchwaldite | NaCaPO4 |
| 5.440(16.28) | 200 | 6.078(14.56) | 144 | 3.252(27.40) | 112 | Morimotoite | Ca3TiFe++Si3O12 |
| 5.440(16.28) | 200 | 3.312(26.90) | 140 | 4.280(20.74) | 100 | Braunite-II | Mn++Mn+++6SiO12 |
| 5.440(16.28) | 200 | 6.360(13.91) | 160 | 8.960(9.86) | 140 | Rankinite | Ca3Si2O7 |
| 5.440(16.28) | 200 | 7.700(11.48) | 160 | 3.498(25.44) | 140 | Seligmannite | PbCuAsS3 |
| 5.444(16.27) | 200 | 4.436(2-) | 140 | 5.054(17.53) | 110 | Geikielite | MgTiO3 |
| 5.444(16.27) | 200 | 17.030(5.18) | 160 | 6.814(12.98) | 120 | IMA2009-034 | NaNa2(Fe++3Fe+++Ti)Si8O22O2 |
| 5.444(16.27) | 200 | 17.344(5.09) | 160 | 4.374(20.29) | 100 | IMA2007-010 | PbHgAs2S6 |
| 5.444(16.27) | 200 | 6.980(12.67) | 160 | 5.520(16.04) | 80 | Maoniupingite-(Ce) | (REE,Ca)4(Fe+++,Ti,Fe++,[ ])(Ti,Fe+++,Fe++,Nb)4Si4O22 |
| 5.444(16.27) | 200 | 8.440(10.47) | 180 | 6.282(14.09) | 160 | Amicite | K2Na2Al4Si4O16·5(H2O) |
| 5.446(16.26) | 200 | 5.984(14.79) | 180 | 6.220(14.23) | 160 | Prosperite | CaZn2(AsO4)2·(H2O) |
| 5.446(16.26) | 200 | 3.327(26.77) | 80 | 5.558(15.93) | 80 | Stavelotite-(La) | La3Mn++3Cu++(Mn+++,Fe+++,Mn++++)26(Si2O7)6O30 |
| 5.448(16.26) | 200 | 5.278(16.78) | 114 | 4.062(21.86) | 100 | Clinophosinaite | Na3CaPSiO7 |
| 5.450(16.25) | 200 | 5.832(15.18) | 180 | 5.998(14.76) | 160 | Marsturite | NaCaMn3[Si5O14(OH)] |
| 5.450(16.25) | 200 | 6.100(14.51) | 160 | 4.122(21.54) | 150 | Congolite | (Fe++,Mg,Mn)3B7O13Cl |
| 5.452(16.24) | 200 | 10.944(8.07) | 64 | 6.910(12.80) | 34 | Hejtmanite | Ba(Mn,Fe++)2TiO(Si2O7)(OH,F)2 |
| 5.452(16.24) | 200 | 7.068(12.51) | 120 | 9.780(9.03) | 60 | Retzian-(Nd) | Mn2(Nd,Ce,La)(AsO4)(OH)4 |
| 5.454(16.24) | 200 | 6.896(12.83) | 174 | 7.792(11.35) | 132 | Cesanite | Na7Ca3(SO4)6(OH)·0.8(H2O) |
| 5.456(16.23) | 200 | 3.344(26.63) | 170 | 2.854(31.32) | 120 | Neltnerite | CaMn+++6SiO12 |
| 5.458(16.23) | 200 | 5.832(15.18) | 200 | 6.840(12.93) | 110 | Parwelite | (Mn,Mg)5Sb(As,Si)2O12 |
| 5.458(16.23) | 200 | 4.014(22.13) | 90 | 3.020(29.55) | 70 | Kitkaite | NiTeSe |
| 5.460(16.22) | 200 | 5.680(15.59) | 200 | 6.560(13.49) | 200 | Semenovite | (Na,Ca)9(Ce,La)2(Fe++,Mn)(Si,Be)20(O,OH,F)48 |
| 5.460(16.22) | 200 | 12.600(7.01) | 160 | 6.140(14.41) | 130 | Alluaudite | NaCaFe++(Mn,Fe++,Fe+++,Mg)2(PO4)3 |
| 5.460(16.22) | 200 | 5.880(15.05) | 120 | 3.680(24.16) | 80 | Stornesite-(Y) | (Y, Ca)[ ]2Na6(Ca,Na)8(Mg,Fe)43(PO4)36 |
| 5.460(16.22) | 200 | 6.600(13.40) | 200 | 7.160(12.35) | 200 | Vaterite | CaCO3 |
| 5.460(16.22) | 200 | 4.446(19.95) | 140 | 7.982(11.08) | 140 | Brodtkorbite | Cu2HgSe2 |
| 5.460(16.22) | 200 | 5.060(17.51) | 180 | 3.420(26.03) | 140 | Ecandrewsite | (Zn,Fe++,Mn++)TiO3 |
| 5.460(16.22) | 200 | 5.760(15.37) | 180 | 5.180(17.10) | 140 | Cebollite | Ca5Al2(SiO4)3(OH)4 |
| 5.464(16.21) | 200 | 5.828(15.19) | 200 | 11.046(8.00) | 160 | Melanotekite | Pb2Fe+++2Si2O9 |
| 5.466(16.20) | 200 | 5.528(16.02) | 200 | 5.567(15.91) | 200 | Rheniite | ReS2 |
| 5.470(16.19) | 200 | 5.544(15.97) | 200 | 4.648(19.08) | 60 | Tillmannsite | (Ag3Hg)(V,As)O4 |
| 5.470(16.19) | 200 | 5.790(15.29) | 160 | 6.000(14.75) | 160 | Tassieite | (Na,[ ])Ca2(Mg,Fe++,Fe+++)2(Fe+++,Mg)2(Fe++,Mg)2(PO4)6(H2O)2 |
| 5.472(16.18) | 200 | 10.680(8.27) | 130 | 7.380(11.98) | 100 | Artinite | Mg2(CO3)(OH)2·3(H2O) |
| 5.474(16.18) | 200 | 5.748(15.40) | 140 | 8.150(10.85) | 100 | Schreyerite | V+++2Ti3O9 |
| 5.480(16.16) | 200 | 3.164(28.18) | 50 | 7.740(11.42) | 50 | Salammoniac | NH4Cl |
| 5.480(16.16) | 200 | 4.960(17.87) | 180 | 6.540(13.53) | 160 | Proustite | Ag3AsS3 |
| 5.480(16.16) | 200 | 5.540(15.98) | 200 | 3.740(23.77) | 180 | Ruarsite | RuAsS |
| 5.480(16.16) | 200 | 14.880(5.93) | 110 | 5.132(17.26) | 106 | Phosinaite-(Ce) | Na13Ca2Ce[Si4O12](PO4)4 |
| 5.480(16.16) | 200 | 7.560(11.70) | 140 | 6.100(14.51) | 120 | Hutchinsonite | (Pb,Tl)2As5S9 |
| 5.480(16.16) | 200 | 5.720(15.48) | 160 | 3.360(26.51) | 140 | Mosesite | Hg2N(Cl,SO4,MoO4,CO3)·(H2O) |
| 5.480(16.16) | 200 | 4.388(20.22) | 110 | 4.874(18.19) | 110 | Kraisslite | (Mn++,Mg)24Zn3Fe+++(As+++O3)2(As+++++O4)3(SiO4)6(OH)18 |
| 5.480(16.16) | 200 | 5.720(15.48) | 200 | 5.800(15.26) | 200 | Kentrolite | Pb2Mn+++2Si2O9 |
| 5.480(16.16) | 200 | 5.120(17.31) | 80 | 6.800(13.01) | 80 | Varulite | NaCaMn(Mn,Fe++,Fe+++)2(PO4)3 |
| 5.480(16.16) | 200 | 3.536(25.16) | 100 | 5.370(16.49) | 90 | Bournonite | PbCuSbS3 |
| 5.482(16.15) | 200 | 3.384(26.31) | 90 | 7.086(12.48) | 72 | Gaspeite | (Ni,Mg,Fe++)CO3 |
| 5.484(16.15) | 200 | 4.204(21.12) | 90 | 3.400(26.19) | 70 | Magnesite | MgCO3 |
| 5.486(16.14) | 200 | 7.102(12.45) | 80 | 3.404(26.16) | 60 | Sphaerocobaltite | CoCO3 |
| 5.486(16.14) | 200 | 3.228(27.61) | 112 | 5.514(16.06) | 110 | Holtstamite | Ca3(Al,Mn+++)2(SiO4)2(OH)4 |
| 5.486(16.14) | 200 | 5.744(15.41) | 200 | 11.022(8.01) | 160 | Gianellaite | Hg4(SO4)N2 |
| 5.486(16.14) | 200 | 6.424(13.77) | 140 | 7.444(11.88) | 80 | Yecoraite | Bi5Fe+++3(Te++++O3)(Te++++++O4)2O9·9(H2O) |
| 5.488(16.14) | 200 | 6.390(13.85) | 120 | 8.120(10.89) | 100 | Nickenichite | Na0,8Ca0,4(Mg,Fe+++,Al)3Cu0,4(AsO4)3 |
| 5.488(16.14) | 200 | 7.774(11.37) | 158 | 3.884(22.88) | 114 | Latrappite | (Ca,Na)(Nb,Ti,Fe)O3 |
| 5.490(16.13) | 200 | 7.900(11.19) | 120 | 6.240(14.18) | 110 | Bobtraillite | (Na,Ca)13Sr11(Zr,Y,Nb)14Si42B6O132(OH)12·12H2O |
| 5.490(16.13) | 200 | 7.774(11.37) | 160 | 3.166(28.16) | 140 | Lafossaite | Tl(Cl,Br) |
| 5.492(16.13) | 200 | 3.174(28.09) | 100 | 3.884(22.88) | 80 | Loparite-(Ce) | (Ce,Na,Ca)2(Ti,Nb)2O6 |
| 5.492(16.13) | 200 | 6.860(12.89) | 64 | 27.600(3.20) | 50 | Arctite | Na2Ca4(PO4)3F |
| 5.492(16.13) | 200 | 5.536(16.00) | 200 | 4.922(18.01) | 160 | Imiterite | Ag2HgS2 |
| 5.496(16.11) | 200 | 2.886(30.96) | 70 | 2.950(30.27) | 66 | Paranatisite | Na2[TiO(SiO4)] |
| 5.498(16.11) | 200 | 6.690(13.22) | 180 | 11.140(7.93) | 70 | Lorenzenite | Na2Ti2Si2O9 |
| 5.498(16.11) | 200 | 5.628(15.73) | 188 | 4.782(18.54) | 170 | Fetiasite | (Fe++,Fe+++,Ti++++)3O2(As+++2O5) |
| 5.498(16.11) | 200 | 7.160(12.35) | 200 | 9.600(9.20) | 180 | Edingtonite | BaAl2Si3O10·4(H2O) |
| 5.500(16.10) | 200 | 7.100(12.46) | 100 | 3.406(26.14) | 90 | Smithsonite | ZnCO3 |
| 5.500(16.10) | 200 | 7.200(12.28) | 160 | 6.780(13.05) | 140 | Rathite | Pb8Pb4-x(Tl2As2)x(Ag2As2)As16S40 |
| 5.500(16.10) | 200 | 4.940(17.94) | 180 | 3.640(24.43) | 140 | Alloclasite | (Co,Fe)AsS |
| 5.500(16.10) | 200 | 3.300(27.00) | 140 | 3.420(26.03) | 140 | Berzeliite | (Ca,Na)3(Mg,Mn)2(AsO4)3 |
| 5.500(16.10) | 200 | 6.680(13.24) | 160 | 5.700(15.53) | 140 | Sarcolite | NaCa6Al4Si6O24F (?) |
| 5.500(16.10) | 200 | 5.032(17.61) | 160 | 8.740(10.11) | 120 | Henritermierite | Ca3(Mn,Al)2(SiO4)2(OH)4 |
| 5.500(16.10) | 200 | 4.920(18.01) | 120 | 3.320(26.83) | 110 | Cattierite | CoS2 |
| 5.500(16.10) | 200 | 4.000(22.21) | 60 | 5.960(14.85) | 60 | Griphite | Ca(Mn,Na,Li)6Fe++Al2(PO4)6(F,OH)2 |
| 5.500(16.10) | 200 | 5.740(15.42) | 160 | 6.240(14.18) | 140 | Babingtonite | Ca2(Fe++,Mn)Fe+++Si5O14(OH) |
| 5.500(16.10) | 200 | 5.940(14.90) | 100 | 7.200(12.28) | 100 | Leucophanite | (Na,Ca)2BeSi2(O,OH,F)7 |
| 5.500(16.10) | 200 | 3.454(25.77) | 180 | 3.742(23.76) | 180 | IMA2000-016 | (Ti,Fe,Mg,Mn)1-xTi2O5 |
| 5.500(16.10) | 200 | 6.500(13.61) | 160 | 8.120(10.89) | 100 | Johillerite | Na(Mg,Zn)3Cu(AsO4)3 |
| 5.500(16.10) | 200 | 5.680(15.59) | 190 | 4.560(19.45) | 80 | Ellestadite-(Cl) | Ca5(SiO4,PO4,SO4)3(Cl,OH,F) |
| 5.500(16.10) | 200 | 6.900(12.82) | 200 | 6.000(14.75) | 140 | Marrite | PbAgAsS3 |
| 5.500(16.10) | 200 | 6.640(13.32) | 200 | 6.060(14.61) | 180 | Denisovite | (K,Na)Ca2Si3O8(F,OH) |
| 5.504(16.09) | 200 | 5.186(17.08) | 160 | 3.242(27.49) | 120 | Vesuvianite | Ca10Mg2Al4(SiO4)5(Si2O7)2(OH)4 |
| 5.504(16.09) | 200 | 5.894(15.02) | 180 | 7.040(12.56) | 180 | Sartorite | PbAs2S4 |
| 5.505(16.09) | 200 | 5.453(16.24) | 196 | 6.396(13.83) | 136 | Dingdaohengite-(Ce) | (Ce,La)4Fe++(Ti,Fe++,Mg,Fe+++)2Ti2Si4O22 |
| 5.506(16.08) | 200 | 5.820(15.21) | 160 | 6.030(14.68) | 160 | Wicksite | NaCa2(Fe++,Mn++)4MgFe+++(PO4)6·2(H2O) |
| 5.506(16.08) | 200 | 5.920(14.95) | 200 | 7.388(11.97) | 200 | Chladniite | Na2Ca(Mg,Fe++)7(PO4)6 |
| 5.508(16.08) | 200 | 5.088(17.42) | 140 | 3.452(25.79) | 110 | Ilmenite | Fe++TiO3 |
| 5.512(16.07) | 200 | 6.640(13.32) | 180 | 6.860(12.89) | 140 | Molybdomenite | PbSeO3 |
| 5.518(16.05) | 200 | 5.940(14.90) | 78 | 7.202(12.28) | 74 | Meliphanite | (Ca,Na)2Be[(Si,Al)2O6(F,OH)] |
| 5.520(16.04) | 200 | 6.460(13.70) | 140 | 5.000(17.72) | 120 | Clinohedrite | CaZnSiO4·(H2O) |
| 5.520(16.04) | 200 | 4.560(19.45) | 160 | 4.760(18.63) | 160 | Tucekite | Ni9Sb2S8 |
| 5.520(16.04) | 200 | 5.540(15.98) | 200 | 3.904(22.76) | 100 | Tausonite | SrTiO3 |
| 5.520(16.04) | 200 | 7.040(12.56) | 160 | 7.580(11.66) | 140 | Schairerite | Na21(SO4)7F6Cl |
| 5.520(16.04) | 200 | 3.680(24.16) | 160 | 5.400(16.40) | 120 | Nisbite | NiSb2 |
| 5.520(16.04) | 200 | 7.522(11.76) | 180 | 3.982(22.31) | 140 | IMA2003-019 | Na6Sr12Ba2Zr13Si39B4O123(OH)6 ·20(H2O) |
| 5.520(16.04) | 200 | 5.900(15.00) | 140 | 3.260(27.33) | 130 | Khibinskite | K2ZrSi2O7 |