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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 |
| 5.490(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 | 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) |
| 5.498(16.11) | 200 | 6.690(13.22) | 180 | 11.140(7.93) | 70 | Lorenzenite | Na2Ti2Si2O9 |
| 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 | 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 | 6.680(13.24) | 160 | 5.700(15.53) | 140 | Sarcolite | NaCa6Al4Si6O24F (?) |
| 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 | 6.640(13.32) | 200 | 6.060(14.61) | 180 | Denisovite | (K,Na)Ca2Si3O8(F,OH) |
| 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 | 5.940(14.90) | 100 | 7.200(12.28) | 100 | Leucophanite | (Na,Ca)2BeSi2(O,OH,F)7 |
| 5.500(16.10) | 200 | 6.900(12.82) | 200 | 6.000(14.75) | 140 | Marrite | PbAgAsS3 |
| 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 | 4.920(18.01) | 120 | 3.320(26.83) | 110 | Cattierite | CoS2 |
| 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 | 7.100(12.46) | 100 | 3.406(26.14) | 90 | Smithsonite | ZnCO3 |
| 5.500(16.10) | 200 | 4.940(17.94) | 180 | 3.640(24.43) | 140 | Alloclasite | (Co,Fe)AsS |
| 5.500(16.10) | 200 | 3.454(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 |
| 5.504(16.09) | 200 | 5.894(15.02) | 180 | 7.040(12.56) | 180 | Sartorite | PbAs2S4 |
| 5.504(16.09) | 200 | 5.186(17.08) | 160 | 3.242(27.49) | 120 | Vesuvianite | Ca10Mg2Al4(SiO4)5(Si2O7)2(OH)4 |
| 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 | 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 |
| 5.520(16.04) | 200 | 3.680(24.16) | 160 | 5.400(16.40) | 120 | Nisbite | NiSb2 |
| 5.520(16.04) | 200 | 7.040(12.56) | 160 | 7.580(11.66) | 140 | Schairerite | Na21(SO4)7F6Cl |
| 5.520(16.04) | 200 | 4.560(19.45) | 160 | 4.760(18.63) | 160 | Tucekite | Ni9Sb2S8 |
| 5.520(16.04) | 200 | 7.800(11.33) | 170 | 3.900(22.78) | 140 | Lueshite | NaNbO3 |
| 5.520(16.04) | 200 | 5.540(15.98) | 200 | 3.904(22.76) | 100 | Tausonite | SrTiO3 |
| 5.526(16.03) | 200 | 5.684(15.58) | 200 | 3.964(22.41) | 126 | Olgite | Na(Sr,Ba)PO4 |
| 5.526(16.03) | 200 | 4.008(22.16) | 116 | 4.514(19.65) | 116 | Katoite | Ca3Al2(SiO4)3-x(OH)4x x=1.5-3 |
| 5.526(16.03) | 200 | 3.378(26.36) | 160 | 4.768(18.59) | 140 | Mcalpineite | Cu++3Te++++++O6·(H2O) |
| 5.528(16.02) | 200 | 10.932(8.08) | 110 | 4.532(19.57) | 72 | Herbertsmithite | Cu3Zn(OH)6Cl2 |
| 5.528(16.02) | 200 | 13.040(6.77) | 200 | 6.580(13.45) | 160 | Kainosite-(Y) | Ca2(Y,Ce)2Si4O12(CO3)·(H2O) |
| 5.528(16.02) | 200 | 7.100(12.46) | 140 | 7.400(11.95) | 140 | Johnsomervilleite | Na2Ca(Mg,Fe++,Mn)7(PO4)6 |
| 5.528(16.02) | 200 | 6.106(14.49) | 190 | 7.112(12.44) | 140 | Stibnite | Sb2S3 |
| 5.528(16.02) | 200 | 3.694(24.07) | 180 | 32.200(2.74) | 140 | Minehillite | (K,Na)2-3Ca28(Zn4Al4Si40)O112(OH)16 |
| 5.528(16.02) | 200 | 7.120(12.42) | 80 | 4.458(19.90) | 70 | Trimerite | CaMn2Be3(SiO4)3 |
| 5.530(16.01) | 200 | 3.906(22.75) | 106 | 7.830(11.29) | 70 | Isolueshite | (Na,La,Ca)(Nb,Ti)O3 |
| 5.530(16.01) | 200 | 2.970(30.06) | 140 | 3.418(26.05) | 140 | Gugiaite | Ca2BeSi2O7 |
| 5.532(16.01) | 200 | 5.804(15.25) | 200 | 6.328(13.98) | 120 | Damaraite | Pb3O2(OH)Cl |
| 5.534(16.00) | 200 | 5.662(15.64) | 200 | 9.240(9.56) | 180 | Clearcreekite | Hg+3(CO3)(OH)·2(H2O) |
| 5.536(16.00) | 200 | 6.958(12.71) | 164 | 11.080(7.97) | 158 | Krasnovite | Ba(Al,Mg)(PO4,CO3)(OH)2·(H2O) |
| 5.536(16.00) | 200 | 4.744(18.69) | 120 | 5.506(16.08) | 110 | Thermonatrite | Na2CO3·(H2O) |
| 5.536(16.00) | 200 | 5.046(17.56) | 80 | 6.472(13.67) | 78 | Stringhamite | CaCuSiO4·2(H2O) |
| 5.536(16.00) | 200 | 5.746(15.41) | 200 | 8.502(10.40) | 200 | Vuonnemite | Na11Nb2TiSi4O12(PO4)2O5F2 |
| 5.536(16.00) | 200 | 5.854(15.12) | 156 | 6.012(14.72) | 134 | Bederite | ([ ],Na)Ca2(Mn++,Mg,Fe++)2(Fe+++,Mg++,Al)2Mn++2(PO4)6·2(H2O) |
| 5.540(15.98) | 200 | 3.920(22.66) | 160 | 3.196(27.89) | 140 | Quadratite | Ag(Cd,Pb)AsS3 |
| 5.540(15.98) | 200 | 5.260(16.84) | 100 | 4.780(18.55) | 80 | Petrovskaite | AuAg(S,Se) |
| 5.540(15.98) | 200 | 3.112(28.66) | 160 | 5.940(14.90) | 140 | Froodite | PdBi2 |
| 5.540(15.98) | 200 | 6.140(14.41) | 200 | 6.420(13.78) | 160 | Talmessite | Ca2Mg(AsO4)2·2(H2O) |
| 5.540(15.98) | 200 | 16.240(5.44) | 180 | 8.100(10.91) | 160 | Keystoneite | Mg0.5[Ni++Fe++(TeO3)3]·4.5(H2O) |
| 5.540(15.98) | 200 | 5.248(16.88) | 188 | 3.254(27.39) | 112 | IMA2009-030 | BaFe+++12O19 |
| 5.540(15.98) | 200 | 7.440(11.89) | 152 | 4.740(18.70) | 126 | Eldfellite | NaFe(SO4)2 |
| 5.540(15.98) | 200 | 4.240(20.93) | 160 | 4.060(21.87) | 140 | Petzite | Ag3AuTe2 |
| 5.542(15.98) | 200 | 4.762(18.62) | 180 | 4.568(19.42) | 160 | Arsenohauchecornite | Ni18Bi3AsS16 |
| 5.542(15.98) | 200 | 3.758(23.66) | 52 | 7.040(12.56) | 52 | Arsenic | As |
| 5.544(15.97) | 200 | 5.848(15.14) | 130 | 5.960(14.85) | 130 | Rhodonite | (Mn++,Fe++,Mg,Ca)SiO3 |
| 5.544(15.97) | 200 | 4.580(19.36) | 160 | 5.016(17.67) | 160 | Nefedovite | Na5Ca4(PO4)4F |
| 5.546(15.97) | 200 | 6.860(12.89) | 110 | 4.260(20.83) | 90 | Lamprophyllite | Na2(Sr,Ba)2Ti3(SiO4)4(OH,F)2 |
| 5.548(15.96) | 200 | 7.460(11.85) | 200 | 6.460(13.70) | 180 | Merrihueite | (K,Na)2(Fe++,Mg)5Si12O30 |
| 5.548(15.96) | 200 | 3.924(22.64) | 100 | 6.400(13.83) | 100 | Chlorargyrite | AgCl |
| 5.548(15.96) | 200 | 5.904(14.99) | 110 | 5.848(15.14) | 76 | Armangite | Mn26As+++18O50(OH)4(CO3) |
| 5.548(15.96) | 200 | 5.678(15.59) | 200 | 7.928(11.15) | 120 | Bario-olgite | Na(Ba,Sr,Na,REE)PO4 |
| 5.548(15.96) | 200 | 5.986(14.79) | 180 | 5.082(17.44) | 140 | Jeffreyite | (Ca,Na)2(Be,Al)Si2(O,OH)7 |
| 5.548(15.96) | 200 | 5.600(15.81) | 194 | 7.694(11.49) | 178 | Chesnokovite | Na2[SiO2(OH)2]·8H2O |
| 5.552(15.95) | 200 | 5.234(16.93) | 122 | 4.982(17.79) | 122 | Wiluite | Ca19(Al,Mg,Fe,Ti)13(B,Al,[ ])5Si18O68(O,OH)10 |
| 5.552(15.95) | 200 | 6.020(14.70) | 200 | 12.320(7.17) | 200 | Ungursaite | NaCa5(Ta,Nb)24O65(OH) |
| 5.554(15.94) | 200 | 3.726(23.86) | 190 | 5.026(17.63) | 130 | Millerite | NiS |
| 5.556(15.94) | 200 | 4.318(20.55) | 180 | 3.630(24.50) | 140 | Achavalite | FeSe |
| 5.558(15.93) | 200 | 5.722(15.47) | 120 | 3.672(24.22) | 40 | Apatite-(CaCl) | Ca5(PO4)3Cl |
| 5.558(15.93) | 200 | 6.216(14.24) | 88 | 3.324(26.80) | 80 | Schaferite | NaCa2Mg2(VO4)3 |
| 5.558(15.93) | 200 | 5.132(17.26) | 180 | 6.440(13.74) | 180 | Pyrargyrite | Ag3SbS3 |
| 5.560(15.93) | 200 | 4.280(20.74) | 100 | 11.800(7.49) | 100 | Berndtite | SnS2 |
| 5.560(15.93) | 200 | 6.404(13.82) | 80 | 5.222(16.96) | 80 | Yazganite | NaFe+++2(Mg,Mn)(AsO4)3·H2O |
| 5.560(15.93) | 200 | 6.260(14.14) | 100 | 8.040(11.00) | 100 | Tritomite-(Y) | (Y,Ca,La,Fe++)5(Si,B,Al)3(O,OH,F)13 (?) |
| 5.560(15.93) | 200 | 5.920(14.95) | 160 | 11.180(7.90) | 130 | Hinsdalite | (Pb,Sr)Al3(PO4)(SO4)(OH)6 |
| 5.560(15.93) | 200 | 8.740(10.11) | 160 | 9.380(9.42) | 160 | Phosphosiderite | Fe+++PO4·2(H2O) |
| 5.560(15.93) | 200 | 5.180(17.10) | 100 | 4.660(19.03) | 80 | Jimboite | Mn3B2O6 |
| 5.560(15.93) | 200 | 3.880(22.90) | 100 | 6.920(12.78) | 100 | Cappelenite-(Y) | Ba(Y,Ce)6Si3B6O24F2 |
| 5.560(15.93) | 200 | 4.432(20.02) | 180 | 3.442(25.86) | 140 | Malinkoite | NaBSiO4 |
| 5.560(15.93) | 200 | 16.700(5.29) | 180 | 3.460(25.73) | 160 | Nanlingite | CaMg4(AsO3)2F4 |
| 5.560(15.93) | 200 | 5.140(17.24) | 180 | 3.490(25.50) | 160 | Pyrophanite | MnTiO3 |
| 5.560(15.93) | 200 | 5.160(17.17) | 160 | 7.560(11.70) | 160 | Burkeite | Na6(CO3)(SO4)2 |
| 5.560(15.93) | 200 | 3.428(25.97) | 160 | 6.400(13.83) | 160 | Roselite-beta | Ca2(Co,Mg)(AsO4)2·2(H2O) |
| 5.560(15.93) | 200 | 3.844(23.12) | 180 | 5.340(16.59) | 160 | Kurchatovite | Ca(Mg,Mn,Fe++)B2O5 |
| 5.560(15.93) | 200 | 7.400(11.95) | 180 | 12.240(7.22) | 180 | Tarbuttite | Zn2(PO4)(OH) |
| 5.562(15.92) | 200 | 6.160(14.37) | 160 | 5.500(16.10) | 140 | Gaitite | Ca2Zn(AsO4)2·2(H2O) |
| 5.564(15.92) | 200 | 7.502(11.79) | 162 | 5.753(15.39) | 154 | Catalanoite | Na2H(PO4)· 8(H2O) |