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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 |
| 6.470(13.68) | 200 | 6.270(14.11) | 160 | 6.324(13.99) | 160 | Florkeite | (K3Ca2Na)[Al8Si8O32]·12H2O |
| 6.470(13.68) | 200 | 3.994(22.24) | 160 | 6.030(14.68) | 120 | Athabascaite | Cu5Se4 |
| 6.472(13.67) | 200 | 4.052(21.92) | 122 | 5.284(16.76) | 88 | Diversilite-(Ce) | Na2(Ba,K)6Ce2Fe++Ti3Si12O36(OH)3(OH,H2O)9 |
| 6.476(13.66) | 200 | 10.580(8.35) | 200 | 6.658(13.29) | 148 | Litvinskite | Na2([ ],Na,Mn)Zr[Si6O12(OH,O)6] |
| 6.478(13.66) | 200 | 6.232(14.20) | 80 | 5.450(16.25) | 60 | Atelestite | Bi8(AsO4)3(OH)5O5 |
| 6.480(13.65) | 200 | 14.160(6.24) | 200 | 10.220(8.64) | 160 | Elpidite | Na2ZrSi6O15·3(H2O) |
| 6.480(13.65) | 200 | 5.800(15.26) | 140 | 4.540(19.54) | 80 | Tsumebite | Pb2Cu(PO4)(SO4)(OH) |
| 6.480(13.65) | 200 | 4.042(21.97) | 60 | 3.306(26.95) | 50 | Wulfenite | PbMoO4 |
| 6.480(13.65) | 200 | 5.740(15.42) | 160 | 10.140(8.71) | 160 | Mottramite | PbCu(VO4)(OH) |
| 6.480(13.65) | 200 | 6.620(13.36) | 180 | 6.000(14.75) | 140 | Hyalophane | (K,Ba)Al(Si,Al)3O8 |
| 6.480(13.65) | 200 | 3.388(26.28) | 170 | 5.620(15.76) | 170 | Erlichmanite | OsS2 |
| 6.480(13.65) | 200 | 6.412(13.80) | 170 | 6.160(14.37) | 140 | Lazulite | MgAl2(PO4)2(OH)2 |
| 6.480(13.65) | 200 | 3.180(28.04) | 160 | 7.160(12.35) | 130 | Richellite | Ca3Fe+++10(PO4)8(OH)12·n(H2O) |
| 6.480(13.65) | 200 | 10.160(8.70) | 160 | 14.340(6.16) | 160 | Osumilite-(Fe) | (K,Na)(Fe++,Mg)2(Al,Fe+++)3(Si,Al)12O30 |
| 6.480(13.65) | 200 | 4.182(21.23) | 180 | 3.238(27.52) | 160 | Chrysoberyl | BeAl2O4 |
| 6.480(13.65) | 200 | 7.500(11.79) | 200 | 10.160(8.70) | 200 | Chayesite | K(Mg,Fe++)4Fe+++(Si12O30) |
| 6.481(13.65) | 200 | 5.848(15.14) | 100 | 6.389(13.85) | 100 | Bogvadite | Na2SrBa2Al4F20 |
| 6.484(13.65) | 200 | 5.492(16.13) | 96 | 5.960(14.85) | 96 | Calderonite | Pb2Fe+++(VO4)2(OH) |
| 6.486(13.64) | 200 | 8.924(9.90) | 192 | 9.312(9.49) | 174 | Cobalttsumcorite | Pb(Co,Fe)2(AsO4)2(OH,H2O)2 |
| 6.488(13.64) | 200 | 5.726(15.46) | 180 | 9.326(9.48) | 180 | Tsumcorite | PbZnFe++(AsO4)2·(H2O) |
| 6.488(13.64) | 200 | 5.754(15.39) | 160 | 5.840(15.16) | 100 | Clinocervantite | Sb+++Sb+++++O4 |
| 6.490(13.63) | 200 | 3.374(26.39) | 100 | 4.978(17.80) | 82 | Rutile | TiO2 |
| 6.490(13.63) | 200 | 6.908(12.80) | 100 | 5.542(15.98) | 70 | Claudetite | As2O3 |
| 6.490(13.63) | 200 | 9.294(9.51) | 200 | 5.448(16.26) | 140 | Mawbyite | Pb(Fe+++Zn)2(AsO4)2(OH,H2O)2 |
| 6.492(13.63) | 200 | 5.364(16.51) | 180 | 6.146(14.40) | 160 | Tilasite | CaMg(AsO4)F |
| 6.492(13.63) | 200 | 4.210(21.08) | 180 | 11.820(7.47) | 180 | Magnesiodumortierite | (Mg,Ti,[ ])<1(Al,Mg)2Al4Si3O18-y(OH)yB y=2-3 |
| 6.492(13.63) | 200 | 5.538(15.99) | 120 | 5.976(14.81) | 120 | Feinglosite | Pb2(Zn,Fe)[(As,S)O4]2·(H2O) |
| 6.496(13.62) | 200 | 5.940(14.90) | 138 | 5.534(16.00) | 122 | Heyite | Pb5Fe++2(VO4)2O4 |
| 6.498(13.62) | 200 | 5.322(16.64) | 160 | 12.756(6.92) | 160 | IMA2009-028 | Na8(Al6Si6O24)(CO3)·3.5H2O |
| 6.498(13.62) | 200 | 6.506(13.60) | 122 | 14.088(6.27) | 108 | Gjerdingenite-Na | (K,Na)2Na(Nb,Ti)4(Si4O12)2(OH,O)4·5H2O |
| 6.500(13.61) | 200 | 4.720(18.78) | 140 | 4.440(19.98) | 110 | Pilsenite | Bi4Te3 |
| 6.500(13.61) | 200 | 3.980(22.32) | 180 | 7.960(11.11) | 160 | Cebaite-(Ce) | Ba3Ce2(CO3)5F2 |
| 6.500(13.61) | 200 | 8.520(10.37) | 110 | 4.206(21.11) | 100 | Kuzminite | Hg2(Br,Cl)2 |
| 6.500(13.61) | 200 | 5.096(17.39) | 104 | 7.500(11.79) | 100 | Dusmatovite | K(K,Na,[ ])(Mn++,Y,Zr)2(Zn,Li)3Si12O30 |
| 6.500(13.61) | 200 | 6.980(12.67) | 140 | 5.680(15.59) | 120 | Owyheeite | Pb7Ag2(Sb,Bi)8S20 |
| 6.500(13.61) | 200 | 12.400(7.12) | 200 | 3.840(23.14) | 180 | Pseudo-autunite | (H3O)4Ca2(UO2)2(PO4)4·5(H2O) (?) |
| 6.500(13.61) | 200 | 5.520(16.04) | 160 | 9.900(8.92) | 160 | Brackebuschite | Pb2(Mn,Fe++)(VO4)2(OH) |
| 6.500(13.61) | 200 | 4.740(18.70) | 100 | 4.480(19.80) | 80 | Hedleyite | Bi7Te3 (?) |
| 6.500(13.61) | 200 | 3.320(26.83) | 70 | 4.048(21.94) | 70 | Stolzite | PbWO4 |
| 6.500(13.61) | 200 | 7.600(11.63) | 200 | 6.900(12.82) | 180 | Molybdite | MoO3 |
| 6.500(13.61) | 200 | 9.600(9.20) | 130 | 5.520(16.04) | 120 | Arsentsumebite | Pb2Cu(AsO4)(SO4)(OH) |
| 6.500(13.61) | 200 | 2.888(30.94) | 140 | 3.154(28.27) | 140 | Burovaite-Ca | (K,Na)4Ca2(Ti,Nb)8[Si4O12]4(OH,O)8·12H2O |
| 6.500(13.61) | 200 | 6.580(13.45) | 190 | 9.120(9.69) | 190 | Blodite | Na2Mg(SO4)2·4(H2O) |
| 6.502(13.61) | 200 | 3.972(22.36) | 180 | 3.394(26.24) | 160 | Permingeatite | Cu3SbSe4 |
| 6.504(13.60) | 200 | 5.286(16.76) | 140 | 10.344(8.54) | 140 | Pyrobelonite | PbMn(VO4)(OH) |
| 6.504(13.60) | 200 | 3.982(22.31) | 112 | 3.394(26.24) | 78 | Haleniusite-(La) | (La,Ce)OF |
| 6.506(13.60) | 200 | 5.386(16.44) | 80 | 5.416(16.35) | 80 | Bismite | Bi2O3 |
| 6.506(13.60) | 200 | 10.260(8.61) | 200 | 5.630(15.73) | 120 | Poudretteite | KNa2B3Si12O30 |
| 6.506(13.60) | 200 | 6.566(13.47) | 200 | 8.466(10.44) | 130 | Parsonsite | Pb2(UO2)(PO4)2·2(H2O) |
| 6.508(13.59) | 200 | 6.542(13.52) | 102 | 6.290(14.07) | 68 | Smrkovecite | Bi2O(OH)(PO4) |
| 6.512(13.59) | 200 | 9.340(9.46) | 194 | 6.144(14.40) | 112 | Rappoldite | Pb(Co,Ni,Zn,)2(AsO4)2·2(H2O) |
| 6.512(13.59) | 200 | 5.036(17.60) | 140 | 9.742(9.07) | 80 | Cuzticite | Fe+++2Te++++++O6·3(H2O) |
| 6.514(13.58) | 200 | 30.600(2.88) | 140 | 4.060(21.87) | 140 | Mathewrogersite | Pb7(Fe,Cu)Al3GeSi12O36·(OH,H2O)6 |
| 6.514(13.58) | 200 | 6.598(13.41) | 200 | 6.648(13.31) | 200 | Terskite | Na4ZrSi6O15(OH)2·2(H2O) |
| 6.518(13.57) | 200 | 6.318(14.01) | 166 | 6.194(14.29) | 140 | Medaite | (Mn,Ca)6(V+++++,As)Si5O18(OH) |
| 6.520(13.57) | 200 | 7.500(11.79) | 180 | 8.860(9.98) | 120 | Eifelite | KNa3Mg4Si12O30 |
| 6.520(13.57) | 200 | 5.300(16.71) | 160 | 5.700(15.53) | 160 | Duftite-beta | PbCu(AsO4)(OH) |
| 6.520(13.57) | 200 | 5.300(16.71) | 160 | 5.700(15.53) | 160 | Duftite-alpha | PbCu(AsO4)(OH) |
| 6.520(13.57) | 200 | 12.440(7.10) | 200 | 5.560(15.93) | 160 | Odanielite | Na(Zn,Mg)3H2(AsO4)3 |
| 6.520(13.57) | 200 | 15.820(5.58) | 180 | 23.780(3.71) | 140 | Volkovskite | KCa4[B5O8(OH)4][B(OH)3]Cl·4(H2O) |
| 6.520(13.57) | 200 | 11.320(7.80) | 200 | 10.020(8.82) | 180 | Inderite | MgB3O3(OH)5·5(H2O) |
| 6.520(13.57) | 200 | 5.932(14.92) | 188 | 10.040(8.80) | 144 | Vlasovite | Na2ZrSi4O11 |
| 6.520(13.57) | 200 | 5.860(15.11) | 130 | 5.120(17.31) | 110 | Darapiosite | KNa2Zr[Li(Mn,Zr)2Si12O30] |
| 6.520(13.57) | 200 | 5.900(15.00) | 180 | 7.620(11.60) | 180 | Semseyite | Pb9Sb8S21 |
| 6.520(13.57) | 200 | 9.380(9.42) | 200 | 4.056(21.90) | 180 | Yttrotungstite-(Y) | YW2O6(OH)3 |
| 6.520(13.57) | 200 | 7.360(12.01) | 140 | 9.400(9.40) | 120 | Hydroxycancrinite | Na4(AlSiO4)3(OH)·(H2O) |
| 6.520(13.57) | 200 | 3.960(22.43) | 160 | 3.440(25.88) | 140 | Hocartite | Ag2FeSnS4 |
| 6.520(13.57) | 200 | 6.140(14.41) | 140 | 6.950(12.73) | 120 | Kirkiite | Pb10Bi3As3S19 |
| 6.520(13.57) | 200 | 7.360(12.01) | 180 | 5.672(15.61) | 140 | Sterryite | Ag2Pb10(Sb,As)12S29 |
| 6.520(13.57) | 200 | 6.440(13.74) | 180 | 6.540(13.53) | 150 | Sanidine | (K,Na)(Si,Al)4O8 |
| 6.522(13.57) | 200 | 4.038(21.99) | 120 | 4.056(21.90) | 120 | Nasledovite | PbMn3Al4(CO3)4(SO4)O5·5(H2O) |
| 6.524(13.56) | 200 | 13.060(6.76) | 170 | 14.180(6.23) | 144 | Korobitsynite | Na3(Ti,Nb)2[Si4O12](OH,O)2·3-4(H2O) |
| 6.524(13.56) | 200 | 14.200(6.22) | 180 | 6.302(14.04) | 160 | Vuoriyarvite-K | (K,Na)2(Nb,Ti)2Si4O12(O,OH)2·4(H2O) |
| 6.528(13.55) | 200 | 9.460(9.34) | 184 | 7.358(12.02) | 144 | Kyanoxalite | Na7(Al5-6Si6-7O24)(C2O4)0.5-1.0·5H2O |
| 6.530(13.55) | 200 | 4.376(20.28) | 142 | 13.452(6.57) | 138 | Chenguodaite | Ag9FeTe2S4 |
| 6.530(13.55) | 200 | 6.196(14.28) | 120 | 6.296(14.05) | 120 | Fairbankite | PbTe++++O3 |
| 6.532(13.54) | 200 | 6.876(12.86) | 170 | 10.780(8.20) | 160 | Leucite | KAlSi2O6 |
| 6.534(13.54) | 200 | 5.040(17.58) | 142 | 8.722(10.13) | 102 | Xocolatlite | Ca2Mn++++2Te++++++2O12·H2O |
| 6.534(13.54) | 200 | 6.300(14.05) | 124 | 8.558(10.33) | 76 | Hechtsbergite | Bi2O(OH)(VO4) |
| 6.534(13.54) | 200 | 3.470(25.65) | 160 | 3.952(22.48) | 160 | Pirquitasite | Ag2ZnSnS4 |
| 6.538(13.53) | 200 | 4.006(22.17) | 80 | 4.280(20.74) | 80 | Kukharenkoite-(Ce) | Ba2Ce(CO3)3F |
| 6.540(13.53) | 200 | 6.776(13.05) | 190 | 4.982(17.79) | 186 | Krettnichite | PbMn+++2(VO4)2(OH)2 |
| 6.540(13.53) | 200 | 8.020(11.02) | 156 | 6.480(13.65) | 84 | Zhonghuacerite-(Ce) | Ba2Ce(CO3)3F |
| 6.540(13.53) | 200 | 2.214(40.72) | 180 | 3.820(23.27) | 180 | Cadmoindite | CdIn2S4 |
| 6.540(13.53) | 200 | 4.462(19.88) | 190 | 3.422(26.02) | 150 | Sellaite | MgF2 |
| 6.540(13.53) | 200 | 5.844(15.15) | 180 | 7.480(11.82) | 160 | Meneghinite | Pb13CuSb7S24 |
| 6.540(13.53) | 200 | 9.540(9.26) | 200 | 12.780(6.91) | 150 | Pitiglianoite | Na6K2Si6Al6O24(SO4)·2(H2O) |
| 6.540(13.53) | 200 | 8.020(11.02) | 200 | 3.996(22.23) | 160 | Kukharenkoite-(La) | Ba2(La,Ce)(CO3)3F |
| 6.540(13.53) | 200 | 6.098(14.51) | 160 | 4.556(19.47) | 130 | Ferrobustamite | Ca(Fe++,Ca,Mn)Si2O6 |
| 6.540(13.53) | 200 | 4.700(18.87) | 100 | 7.820(11.31) | 80 | Kolarite | PbTeCl2 |
| 6.542(13.52) | 200 | 5.742(15.42) | 104 | 6.054(14.62) | 82 | Pezzottaite | Cs(Be2Li)Al2Si6O18 |
| 6.546(13.52) | 200 | 7.390(11.97) | 176 | 5.538(15.99) | 130 | Vishnevite | (Na,Ca,K)6(Si,Al)12O24[(SO4),(CO3),Cl2]2-4·n(H2O) |
| 6.546(13.52) | 200 | 7.724(11.45) | 200 | 15.920(5.55) | 200 | Krautite | MnAs+++++O3(OH)2·(H2O) |
| 6.546(13.52) | 200 | 18.580(4.75) | 160 | 9.240(9.56) | 100 | Taneyamalite | (Na,Ca)(Mn++,Mg)12[(Si,Al)6O17]2(O,OH)10 |
| 6.546(13.52) | 200 | 4.006(22.17) | 140 | 3.414(26.08) | 88 | Stilleite | ZnSe |
| 6.550(13.51) | 200 | 5.746(15.41) | 160 | 5.986(14.79) | 160 | Aurivilliusite | Hg+Hg++OI |
| 6.552(13.50) | 200 | 7.460(11.85) | 182 | 11.694(7.55) | 166 | IMA2008-067 | SiO2·n(CH4,C2H6,C3H8,C4H10); (nmax = 3/17) |
| 6.556(13.49) | 200 | 16.240(5.44) | 130 | 5.806(15.25) | 128 | Stoppaniite | (Fe,Al,Mg)4(Na,[ ])2[Be6Si12O36]·2(H2O) |
| 6.558(13.49) | 200 | 16.952(5.21) | 180 | 6.264(14.13) | 120 | Villyaellenite | Mn++5(AsO3OH)2(AsO4)2·4(H2O) |
| 6.558(13.49) | 200 | 5.052(17.54) | 120 | 8.846(9.99) | 80 | Lyonsite | Cu++3Fe+++4(VO4)6 |