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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 |
| 5.956(14.86) | 200 | 7.326(12.07) | 140 | 4.678(18.95) | 130 | Marumoite | Pb32As40S92 |
| 5.958(14.86) | 200 | 6.760(13.09) | 200 | 12.860(6.87) | 100 | Phoenicochroite | Pb2(CrO4)O |
| 5.960(14.85) | 200 | 2.800(31.94) | 160 | 4.260(20.83) | 140 | Omphacite | (Ca,Na)(Mg,Fe++,Al)Si2O6 |
| 5.960(14.85) | 200 | 23.000(3.84) | 180 | 5.712(15.50) | 160 | Khomyakovite | Na12Sr3Ca6Fe3Zr3W(Si25O73)(O,OH,H2O)3 (OH,Cl)2 |
| 5.960(14.85) | 200 | 3.640(24.43) | 100 | 3.500(25.43) | 60 | Zirconolite-3T | CaZrTi2O7 |
| 5.960(14.85) | 200 | 3.126(28.53) | 160 | 3.672(24.22) | 160 | Microlite | (Na,Ca)2Ta2O6(O,OH,F) |
| 5.960(14.85) | 200 | 7.140(12.39) | 160 | 5.060(17.51) | 60 | Zirkelite | (Ca,Th,Ce)Zr(Ti,Nb)2O7 |
| 5.960(14.85) | 200 | 11.400(7.75) | 180 | 4.876(18.18) | 160 | Inaglyite | PbCu3(Ir,Pt)8S16 |
| 5.960(14.85) | 200 | 11.540(7.65) | 180 | 7.060(12.53) | 120 | Lusungite | (Sr,Pb)Fe+++3(PO4)2(OH)5·(H2O) |
| 5.960(14.85) | 200 | 4.530(19.58) | 174 | 9.060(9.75) | 172 | Adranosite | (NH4)4NaAl2(SO4)4Cl(OH)2 |
| 5.960(14.85) | 200 | 7.240(12.21) | 160 | 6.980(12.67) | 120 | Christite | TlHgAsS3 |
| 5.960(14.85) | 200 | 7.300(12.11) | 64 | 2.918(30.61) | 58 | Ixiolite | (Ta,Nb,Sn,Mn++,Fe++)O2 |
| 5.960(14.85) | 200 | 7.380(11.98) | 160 | 7.480(11.82) | 160 | Koragoite | (Mn++,Fe+++)3(Nb,Ta,Ti)2(Nb,Mn)2(W,Ta)2O20 |
| 5.960(14.85) | 200 | 6.380(13.87) | 180 | 4.300(20.64) | 140 | Jarlite | Na(Sr,Na,[ ])7(Mg,[ ])Al6F32(OH,H2O)2 |
| 5.960(14.85) | 200 | 5.840(15.16) | 180 | 6.260(14.14) | 80 | Samarskite-(Y) | (Y,Fe+++,U)(Nb,Ta)5O4 |
| 5.960(14.85) | 200 | 9.640(9.17) | 180 | 11.820(7.47) | 140 | Olivenite | Cu2AsO4(OH) |
| 5.960(14.85) | 200 | 3.492(25.49) | 154 | 4.938(17.95) | 110 | Greigite | Fe++Fe+++2S4 |
| 5.960(14.85) | 200 | 23.000(3.84) | 180 | 5.712(15.50) | 160 | Manganokhomyakovite | Na12Sr3Ca6Mn3Zr3W(Si25O73)(O,OH,H2O)3(OH,Cl)2 |
| 5.960(14.85) | 200 | 5.540(15.98) | 160 | 3.284(27.13) | 140 | Lorettoite | Pb7O6Cl2 |
| 5.960(14.85) | 200 | 4.566(19.42) | 160 | 3.818(23.28) | 140 | Walthierite | Ba0.5Al3(SO4)2(OH)6 |
| 5.962(14.85) | 200 | 7.020(12.60) | 180 | 11.460(7.71) | 180 | Hidalgoite | PbAl3(AsO4)(SO4)(OH)6 |
| 5.962(14.85) | 200 | 5.474(16.18) | 160 | 6.200(14.27) | 120 | Sundiusite | Pb10(SO4)Cl2O8 |
| 5.964(14.84) | 200 | 3.666(24.26) | 160 | 3.124(28.55) | 140 | Jixianite | Pb(W,Fe+++)2(O,OH)7 |
| 5.966(14.84) | 200 | 4.880(18.16) | 100 | 6.540(13.53) | 100 | Rhodizite | (K,Cs)Al4Be4(B,Be)12O28 |
| 5.966(14.84) | 200 | 5.632(15.72) | 156 | 3.978(22.33) | 150 | Parkinsonite | (Pb,Mo,[ ])8O8Cl2 |
| 5.966(14.84) | 200 | 5.404(16.39) | 164 | 13.262(6.66) | 140 | Thermessaite | K2[AlF3SO4] |
| 5.966(14.84) | 200 | 6.316(14.01) | 180 | 5.676(15.60) | 130 | Serandite | Na(Mn++,Ca)2Si3O8(OH) |
| 5.966(14.84) | 200 | 7.006(12.62) | 40 | 5.250(16.87) | 38 | Vastmanlandite-(Ce) | (Ce,La)3CaAl2Mg2[Si2O7][SiO4]3F(OH)2 |
| 5.968(14.83) | 200 | 6.346(13.94) | 180 | 4.968(17.84) | 160 | Lapeyreite | Cu3O[AsO3(OH)]2·H2O |
| 5.968(14.83) | 200 | 5.702(15.53) | 160 | 6.234(14.20) | 132 | Hydroxylwagnerite | Mg2(PO4)(OH) |
| 5.970(14.83) | 200 | 3.690(24.10) | 80 | 5.096(17.39) | 70 | Stenhuggarite | CaFe+++(As+++O2)(As+++Sb+++O5) |
| 5.970(14.83) | 200 | 6.594(13.42) | 130 | 6.246(14.17) | 126 | Wagnerite | (Mg,Fe++)2(PO4)F |
| 5.970(14.83) | 200 | 23.944(3.69) | 200 | 7.080(12.49) | 120 | Tlapallite | H6(Ca,Pb)2Cu3(SO4)(Te++++O3)4(Te++++++O6) |
| 5.972(14.82) | 200 | 3.660(24.30) | 164 | 11.940(7.40) | 130 | Chlorbartonite | K6Fe24S26(Cl,S) |
| 5.972(14.82) | 200 | 6.200(14.27) | 200 | 3.822(23.25) | 100 | Gotzenite | (Ca,Na)3(Ti,Al)Si2O7(F,OH)2 |
| 5.974(14.82) | 200 | 8.780(10.07) | 200 | 5.700(15.53) | 158 | Aqualite | (H3O)8(Na,K,Sr)5Ca6Zr3Si26O66(OH)9Cl |
| 5.974(14.82) | 200 | 8.690(10.17) | 162 | 5.722(15.47) | 140 | Rastsvetaevite | Na27K8Ca12Fe3Zr6Si52O144(O,OH,H2O)6Cl2 |
| 5.974(14.82) | 200 | 7.300(12.11) | 164 | 5.880(15.05) | 100 | Lithiowodginite | LiTa3O8 |
| 5.976(14.81) | 200 | 6.808(12.99) | 172 | 3.746(23.73) | 110 | Paratellurite | TeO2 |
| 5.976(14.81) | 200 | 8.260(10.70) | 80 | 8.640(10.23) | 80 | Mattheddleite | Pb20(SiO4)7(SO4)4Cl4 |
| 5.976(14.81) | 200 | 6.136(14.42) | 170 | 6.768(13.07) | 120 | Vanadinite | Pb5(VO4)3Cl |
| 5.978(14.81) | 200 | 6.068(14.59) | 182 | 10.194(8.67) | 160 | Margarosanite | Pb(Ca,Mn++)2Si3O9 |
| 5.978(14.81) | 200 | 3.122(28.57) | 80 | 3.660(24.30) | 80 | Stibiobetafite | (Sb+++,Ca)2(Ti,Nb,Ta)2(O,OH)7 |
| 5.978(14.81) | 200 | 8.292(10.66) | 200 | 4.990(17.76) | 180 | Routhierite | TlCu(Hg,Zn)2(As,Sb)2S3 |
| 5.978(14.81) | 200 | 8.100(10.91) | 100 | 9.620(9.19) | 100 | Carbocernaite | (Ca,Na)(Sr,Ce,Ba)(CO3)2 |
| 5.980(14.80) | 200 | 4.226(21.00) | 140 | 4.882(18.16) | 100 | Londonite | CsAl4Be4(B,Be)12O28 |
| 5.980(14.80) | 200 | 4.592(19.31) | 190 | 5.926(14.94) | 188 | Georgbokiite | Cu5O2(SeO3)2Cl2 |
| 5.980(14.80) | 200 | 4.180(21.24) | 180 | 5.820(15.21) | 140 | Calaverite | AuTe2 |
| 5.980(14.80) | 200 | 6.440(13.74) | 160 | 6.700(13.20) | 120 | Roselite | Ca2(Co,Mg)(AsO4)2·2(H2O) |
| 5.980(14.80) | 200 | 6.180(14.32) | 200 | 6.800(13.01) | 200 | Epididymite | NaBeSi3O7(OH) |
| 5.980(14.80) | 200 | 7.100(12.46) | 180 | 3.538(25.15) | 120 | Arsenocrandallite | (Ca,Sr)Al3[(As,P)O4]2(OH)5·(H2O) |
| 5.980(14.80) | 200 | 6.160(14.37) | 180 | 6.480(13.65) | 140 | Trigonite | Pb3Mn(As+++O3)2(As+++O2OH) |
| 5.980(14.80) | 200 | 5.900(15.00) | 80 | 7.320(12.08) | 80 | Euxenite-(Y) | (Y,Ca,Ce)(Nb,Ta,Ti)2O6 |
| 5.980(14.80) | 200 | 3.800(23.39) | 100 | 2.960(30.17) | 80 | Uranopolycrase | (U,Y)(Ti,Nb,Ta)2O6 |
| 5.980(14.80) | 200 | 7.380(11.98) | 180 | 4.820(18.39) | 140 | Tantalite-(Mn) | MnTa2O6 |
| 5.980(14.80) | 200 | 3.500(25.43) | 180 | 4.942(17.93) | 160 | Ferrorhodsite | (Fe,Cu)(Rh,Ir,Pt)2S4 |
| 5.980(14.80) | 200 | 3.598(24.72) | 180 | 11.080(7.97) | 160 | Rasvumite | KFe2S3 |
| 5.980(14.80) | 200 | 3.472(25.64) | 120 | 4.280(20.74) | 80 | Kashinite | (Ir,Rh)2S3 |
| 5.980(14.80) | 200 | 6.940(12.74) | 140 | 7.460(11.85) | 140 | Livingstonite | HgSb4S8 |
| 5.980(14.80) | 200 | 4.186(21.21) | 180 | 4.700(18.87) | 180 | Liveingite | Pb9As13S28 |
| 5.980(14.80) | 200 | 5.400(16.40) | 40 | 13.160(6.71) | 40 | Walstromite | BaCa2Si3O9 |
| 5.980(14.80) | 200 | 5.380(16.46) | 80 | 3.600(24.71) | 60 | Romarchite | SnO |
| 5.982(14.80) | 200 | 5.056(17.53) | 80 | 5.786(15.30) | 60 | Diopside | CaMgSi2O6 |
| 5.982(14.80) | 200 | 7.390(11.97) | 70 | 3.472(25.64) | 28 | Columbite-(Mn) | (Mn,Fe++)(Nb,Ta)2O6 |
| 5.984(14.79) | 200 | 8.464(10.44) | 170 | 5.540(15.98) | 160 | Galkhaite | (Cs,Tl)(Hg,Cu,Zn)6(As,Sb)4S12 |
| 5.986(14.79) | 200 | 13.004(6.79) | 138 | 8.490(10.41) | 108 | Ussingite | Na2AlSi3O8(OH) |
| 5.986(14.79) | 200 | 5.270(16.81) | 140 | 5.034(17.60) | 120 | Vuagnatite | CaAlSiO4(OH) |
| 5.986(14.79) | 200 | 5.900(15.00) | 140 | 15.400(5.73) | 100 | Vicanite-(Ce) | (Ca,Ce,La,Th)15As+++++(As+++0.5,Na0.5)Fe+++Si6B4O40F7 |
| 5.988(14.78) | 200 | 6.836(12.94) | 176 | 6.960(12.71) | 128 | Marrucciite | Hg3Pb16Sb18S46 |
| 5.988(14.78) | 200 | 5.532(16.01) | 160 | 6.452(13.71) | 120 | Wendwilsonite | Ca2(Mg,Co)(AsO4)2·2(H2O) |
| 5.990(14.78) | 200 | 6.860(12.89) | 140 | 3.428(25.97) | 120 | Bukovite | Tl2Cu3FeSe4 |
| 5.992(14.77) | 200 | 5.908(14.98) | 190 | 9.680(9.13) | 130 | Hubnerite | MnWO4 |
| 5.992(14.77) | 200 | 16.800(5.26) | 200 | 10.400(8.50) | 120 | Francevillite | (Ba,Pb)(UO2)2V2O8·5(H2O) |
| 5.992(14.77) | 200 | 5.070(17.48) | 94 | 5.162(17.16) | 84 | Grossmanite | CaTi+++AlSiO6 |
| 5.992(14.77) | 200 | 6.346(13.94) | 140 | 7.004(12.63) | 140 | Stibivanite | Sb+++2V++++O5 |
| 5.992(14.77) | 200 | 28.580(3.09) | 200 | 12.780(6.91) | Lintisite | Na3LiTi2Si4O14·2(H2O) | |
| 5.994(14.77) | 200 | 3.136(28.44) | 180 | 3.676(24.19) | 180 | Bismutomicrolite | (Bi,Ca)(Ta,Nb)2O6(OH) |
| 5.994(14.77) | 200 | 5.906(14.99) | 190 | 5.648(15.68) | 180 | Bario-orthojoaquinite | Fe++2(Ba,Sr)4Ti2[Si4O12]O2·(H2O) |
| 5.996(14.76) | 200 | 11.980(7.37) | 154 | 3.666(24.26) | 80 | Bartonite | K3Fe10S14 |
| 5.998(14.76) | 200 | 3.666(24.26) | 80 | 3.188(27.96) | 40 | Watanabeite | Cu4(As,Sb)2S5 |
| 5.998(14.76) | 200 | 6.504(13.60) | 182 | 6.566(13.47) | 178 | Zincgartrellite | Pb(Zn,Fe,Cu)2(AsO4)2(OH,H2O)2 |
| 6.000(14.75) | 200 | 6.520(13.57) | 120 | 5.880(15.05) | 110 | Jagowerite | BaAl2(PO4)2(OH)2 |
| 6.000(14.75) | 200 | 6.380(13.87) | 180 | 5.760(15.37) | 160 | Arsenpolybasite | [Ag9CuS4] [(Ag,Cu)6(As,Sb)2S7] |
| 6.000(14.75) | 200 | 5.680(15.59) | 180 | 6.220(14.23) | 100 | Pearceite | [Ag9CuS4] [(Ag,Cu)6(As,Sb)2S7] |
| 6.000(14.75) | 200 | 5.680(15.59) | 180 | 6.220(14.23) | 100 | Antimonpearceite | [Ag9CuS4] [(Ag,Cu)6(Sb,As)2S7] |
| 6.000(14.75) | 200 | 3.676(24.19) | 120 | 3.136(28.44) | 100 | Pyrochlore | (Na,Ca)2Nb2O6(OH,F) |
| 6.000(14.75) | 200 | 9.960(8.87) | 200 | 8.120(10.89) | 160 | Spiroffite | (Mn,Zn)2Te3O8 |
| 6.000(14.75) | 200 | 11.500(7.68) | 140 | 7.040(12.56) | 120 | Osarizawaite | PbCuAl2(SO4)2(OH)6 |
| 6.000(14.75) | 200 | 6.440(13.74) | 160 | 10.200(8.66) | 120 | Zincroselite | Ca2Zn(AsO4)2·2(H2O) |
| 6.000(14.75) | 200 | 5.640(15.70) | 120 | 6.280(14.09) | 60 | Xanthoconite | Ag3AsS3 |
| 6.000(14.75) | 200 | 5.900(15.00) | 140 | 7.340(12.05) | 140 | Wodginite | Mn++(Sn,Ta)(Ta,Nb)2O8 |
| 6.000(14.75) | 200 | 5.080(17.44) | 180 | 3.440(25.88) | 160 | Blakeite | Fe2(TeO3)3 |
| 6.000(14.75) | 200 | 10.680(8.27) | 120 | 7.240(12.21) | 110 | Teschemacherite | (NH4)HCO3 |
| 6.000(14.75) | 180 | 4.854(18.26) | 100 | 5.040(17.58) | 100 | Kurilite | (Ag,Au)2(Te,Se,S) |
| 6.000(14.75) | 200 | 5.914(14.97) | 194 | 7.324(12.07) | 106 | Heftetjernite | ScTaO4 |
| 6.000(14.75) | 200 | 6.540(13.53) | 200 | 5.560(15.93) | 180 | Arsenbrackebuschite | Pb2(Fe++,Zn)(AsO4)2·(H2O) |
| 6.000(14.75) | 200 | 5.052(17.54) | 140 | 5.920(14.95) | 120 | Esseneite | CaFe+++AlSiO6 |
| 6.000(14.75) | 200 | 7.560(11.70) | 110 | 4.144(21.42) | 70 | Selenium | Se |
| 6.000(14.75) | 200 | 3.662(24.29) | 120 | 3.126(28.53) | 60 | Tetrahedrite | (Cu,Fe)12Sb4S13 |
| 6.000(14.75) | 200 | 4.820(18.39) | 140 | 13.400(6.59) | 140 | Liebauite | Ca3Cu5Si9O26 |