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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.
|
Selected X-Ray λ |
Change X-Ray λ |
D1 Å |
D2 Å |
D3 Å |
Tolerance % |
Elements |
|---|
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 6.440(13.74) | 200 | 3.480(25.58) | 180 | 5.460(16.22) | 160 | Sillenite | Bi12SiO20 |
| 6.440(13.74) | 200 | 5.958(14.86) | 190 | 5.714(15.49) | 176 | Zirsilite-(Ce) | (Na,[ ])12(Ce, Na)3Ca6Mn3Zr3Nb(Si25O73)(OH)3(CO3)·H2O |
| 6.440(13.74) | 200 | 3.718(23.91) | 180 | 5.740(15.42) | 160 | Enargite | Cu3AsS4 |
| 6.440(13.74) | 200 | 4.680(18.95) | 180 | 2.946(30.31) | 120 | Rucklidgeite | (Bi,Pb)3Te4 |
| 6.440(13.74) | 200 | 5.427(16.32) | 160 | 5.127(17.28) | 120 | Vesignieite | Cu3Ba(VO4)2(OH)2 |
| 6.440(13.74) | 200 | 8.220(10.75) | 120 | 10.020(8.82) | 120 | Osumilite-(Mg) | (K,Na)(Mg,Fe++)2(Al,Fe+++)3(Si,Al)12O30 |
| 6.440(13.74) | 200 | 3.840(23.14) | 40 | 4.820(18.39) | 40 | Baratovite | KCa7(Ti,Zr)2Li3Si12O36F2 |
| 6.440(13.74) | 200 | 4.840(18.31) | 140 | 12.740(6.93) | 100 | Ekatite | (Fe+++,Fe++,Zn)12(OH)6[AsO3]6[AsO3,HOSiO3]2 |
| 6.440(13.74) | 200 | 7.300(12.11) | 180 | 12.600(7.01) | 140 | Cancrisilite | Na7Al5Si7O24(C03)·3(H2O) |
| 6.440(13.74) | 200 | 12.640(6.99) | 140 | 7.060(12.53) | 100 | Guanine | C5H3(NH2)N4O |
| 6.440(13.74) | 200 | 6.020(14.70) | 200 | 5.220(16.97) | 160 | Parageorgbokiite | Cu5O2(SeO3)2Cl2 |
| 6.440(13.74) | 200 | 6.200(14.27) | 180 | 7.060(12.53) | 180 | Cornwallite | Cu5(AsO4)2(OH)4 |
| 6.440(13.74) | 200 | 5.940(14.90) | 140 | 5.180(17.10) | 126 | Vanadomalayaite | CaVOSiO4 |
| 6.440(13.74) | 200 | 4.180(21.24) | 160 | 8.320(10.62) | 160 | Svyatoslavite | CaAl2Si2O8 |
| 6.444(13.73) | 200 | 4.384(20.24) | 50 | 4.752(18.66) | 50 | Tellurobismuthite | Bi2Te3 |
| 6.446(13.73) | 200 | 6.380(13.87) | 160 | 8.932(9.89) | 140 | Nickelblodite | Na2(Ni,Mg)(SO4)2·4(H2O) |
| 6.448(13.72) | 200 | 3.272(27.23) | 80 | 4.864(18.22) | 80 | Guyanaite | CrO(OH) |
| 6.448(13.72) | 200 | 5.520(16.04) | 120 | 7.238(12.22) | 110 | Raspite | PbWO4 |
| 6.448(13.72) | 200 | 6.240(14.18) | 174 | 5.682(15.58) | 138 | Pyrostilpnite | Ag3SbS3 |
| 6.448(13.72) | 200 | 6.702(13.20) | 132 | 5.800(15.26) | 88 | IMA2009-023 | Pb6(Te2O10)(CO3)Cl2(H2O) |
| 6.450(13.72) | 200 | 13.840(6.38) | 160 | 9.880(8.94) | 140 | Gjerdingenite-Fe | K2[(H2O)2(Fe,Mn)][(Nb,Ti)4(Si4O12)2(O,OH)4]·4(H2O) |
| 6.452(13.71) | 200 | 5.780(15.32) | 120 | 3.454(25.77) | 60 | Smirnite | Bi2Te++++O5 |
| 6.456(13.70) | 200 | 4.728(18.75) | 116 | 4.010(22.15) | 66 | Kochkarite | PbBi4Te7 |
| 6.456(13.70) | 200 | 10.118(8.73) | 130 | 7.452(11.87) | 100 | Yagiite | (Na,K)3Mg4(Al,Mg)6(Si,Al)24O60 |
| 6.456(13.70) | 200 | 5.250(16.87) | 162 | 10.238(8.63) | 154 | Cechite | Pb(Fe++,Mn)(VO4)(OH) |
| 6.458(13.70) | 200 | 5.760(15.37) | 160 | 8.194(10.79) | 140 | Oftedalite | (Sc,Ca)2KBe3Si12O30 |
| 6.460(13.70) | 200 | 3.788(23.47) | 180 | 2.194(41.11) | 80 | Manganoshadlunite | (Mn,Pb)(Cu,Fe)8S8 |
| 6.460(13.70) | 200 | 3.900(22.78) | 160 | 4.560(19.45) | 160 | Miersite | (Ag,Cu)I |
| 6.460(13.70) | 200 | 5.800(15.26) | 160 | 10.240(8.63) | 160 | Descloizite | PbZn(VO4)(OH) |
| 6.460(13.70) | 200 | 21.000(4.20) | 200 | 8.980(9.84) | 160 | Palygorskite | (Mg,Al)2Si4O10(OH)·4(H2O) |
| 6.460(13.70) | 200 | 4.702(18.86) | 74 | 4.456(19.91) | 62 | Tellurium | Te |
| 6.460(13.70) | 200 | 4.720(18.78) | 120 | 4.420(20.07) | 100 | Tsumoite | BiTe |
| 6.460(13.70) | 200 | 6.572(13.46) | 160 | 3.374(26.39) | 140 | Curetonite | Ba4Al3Ti(PO4)4(O,OH)6 |
| 6.460(13.70) | 200 | 4.560(19.45) | 160 | 2.884(30.98) | 100 | Altaite | PbTe |
| 6.460(13.70) | 200 | 4.440(19.98) | 180 | 3.472(25.64) | 160 | Colquiriite | CaLiAlF6 |
| 6.460(13.70) | 200 | 12.800(6.90) | 180 | 6.060(14.61) | 160 | Fairfieldite | Ca2(Mn,Fe++)(PO4)2·2(H2O) |
| 6.460(13.70) | 200 | 9.300(9.50) | 180 | 6.080(14.56) | 160 | Keiviite-(Y) | (Y,Yb)2Si2O7 |
| 6.460(13.70) | 200 | 6.740(13.12) | 150 | 10.460(8.45) | 110 | Sazhinite-(Ce) | Na2Ce[Si6O14(OH)]·n(H2O), (n >= 1.5) |
| 6.460(13.70) | 200 | 3.562(24.98) | 140 | 4.310(20.59) | 120 | Tranquillityite | Fe++8(Zr,Y)2Ti3Si3O24 |
| 6.460(13.70) | 200 | 3.866(22.99) | 80 | 4.840(18.31) | 60 | Katayamalite | (K,Na)Ca7Li3Ti2[Si6O18]2(OH,F)2 |
| 6.460(13.70) | 200 | 14.200(6.22) | 180 | 5.020(17.65) | 160 | Tsepinite-Sr | (Sr,Ba,K)(Ti,Nb)2(Si4O12)(OH,O)2·3(H2O) |
| 6.460(13.70) | 200 | 3.374(26.39) | 180 | 4.960(17.87) | 160 | Ilmenorutile | (Ti,Nb,Fe+++)O2 |
| 6.460(13.70) | 200 | 10.000(8.84) | 200 | 4.220(21.03) | 160 | Vanuranylite | (H3O,Ba,Ca,K)1.6(UO2)2V2O8·4(H2O) (?) |
| 6.460(13.70) | 200 | 2.306(39.03) | 140 | 3.140(28.40) | 140 | Asbecasite | Ca3(Ti,Sn)As+++6Si2Be2O20 |
| 6.462(13.69) | 200 | 8.360(10.57) | 90 | 5.692(15.56) | 84 | Poldervaartite | (Ca,Mn++)2SiO3(OH)2 |
| 6.464(13.69) | 200 | 4.472(19.84) | 80 | 4.972(17.82) | 68 | Henrymeyerite | BaFe++Ti7O16 |
| 6.466(13.68) | 200 | 5.190(17.07) | 180 | 5.978(14.81) | 180 | Titanite | CaTiSiO5 |
| 6.466(13.68) | 200 | 11.886(7.43) | 200 | 6.134(14.43) | 120 | Paganoite | (Ni,Co)BiAsO5 |
| 6.468(13.68) | 200 | 4.850(18.28) | 84 | 5.788(15.30) | 84 | IMA2009-004 | KCa7Sn2Li3Si12O36F2 |
| 6.468(13.68) | 200 | 3.378(26.36) | 128 | 3.960(22.43) | 116 | Thorianite | ThO2 |
| 6.468(13.68) | 200 | 5.308(16.69) | 180 | 5.196(17.05) | 60 | Macphersonite | Pb4(SO4)(CO3)2(OH)2 |
| 6.468(13.68) | 200 | 6.148(14.39) | 136 | 5.946(14.89) | 78 | IMA2008-066 | Mn5(H2O)4(AsO3OH)2(AsO4)2 |
| 6.470(13.68) | 200 | 3.994(22.24) | 160 | 6.030(14.68) | 120 | Athabascaite | Cu5Se4 |
| 6.470(13.68) | 200 | 6.270(14.11) | 160 | 6.324(13.99) | 160 | Florkeite | (K3Ca2Na)[Al8Si8O32]·12H2O |
| 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 | 5.740(15.42) | 160 | 10.140(8.71) | 160 | Mottramite | PbCu(VO4)(OH) |
| 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 | 6.620(13.36) | 180 | 6.000(14.75) | 140 | Hyalophane | (K,Ba)Al(Si,Al)3O8 |
| 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 | 3.180(28.04) | 160 | 7.160(12.35) | 130 | Richellite | Ca3Fe+++10(PO4)8(OH)12·n(H2O) |
| 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 | 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) |
| 6.480(13.65) | 200 | 3.388(26.28) | 170 | 5.620(15.76) | 170 | Erlichmanite | OsS2 |
| 6.480(13.65) | 200 | 14.160(6.24) | 200 | 10.220(8.64) | 160 | Elpidite | Na2ZrSi6O15·3(H2O) |
| 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 | 9.294(9.51) | 200 | 5.448(16.26) | 140 | Mawbyite | Pb(Fe+++Zn)2(AsO4)2(OH,H2O)2 |
| 6.490(13.63) | 200 | 6.908(12.80) | 100 | 5.542(15.98) | 70 | Claudetite | As2O3 |
| 6.490(13.63) | 200 | 3.374(26.39) | 100 | 4.978(17.80) | 82 | Rutile | TiO2 |
| 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 | 6.506(13.60) | 122 | 14.088(6.27) | 108 | Gjerdingenite-Na | (K,Na)2Na(Nb,Ti)4(Si4O12)2(OH,O)4·5H2O |
| 6.498(13.62) | 200 | 5.322(16.64) | 160 | 12.756(6.92) | 160 | IMA2009-028 | Na8(Al6Si6O24)(CO3)·3.5H2O |
| 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 | 3.980(22.32) | 180 | 7.960(11.11) | 160 | Cebaite-(Ce) | Ba3Ce2(CO3)5F2 |
| 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 | 9.600(9.20) | 130 | 5.520(16.04) | 120 | Arsentsumebite | Pb2Cu(AsO4)(SO4)(OH) |
| 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 | 4.720(18.78) | 140 | 4.440(19.98) | 110 | Pilsenite | Bi4Te3 |
| 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 | 4.740(18.70) | 100 | 4.480(19.80) | 80 | Hedleyite | Bi7Te3 (?) |
| 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 | 3.320(26.83) | 70 | 4.048(21.94) | 70 | Stolzite | PbWO4 |
| 6.500(13.61) | 200 | 6.580(13.45) | 190 | 9.120(9.69) | 190 | Blodite | Na2Mg(SO4)2·4(H2O) |
| 6.500(13.61) | 200 | 7.600(11.63) | 200 | 6.900(12.82) | 180 | Molybdite | MoO3 |
| 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 | 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) |