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.
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D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
19.996(4.42) | 200 | 6.950(12.73) | 140 | 6.666(13.27) | 100 | Vochtenite | (Fe++,Mg)Fe+++[(UO2)(PO4)]4(OH)·12-13(H2O) |
19.996(4.42) | 200 | 5.226(16.95) | 106 | 6.764(13.08) | 66 | Phlogopite | KMg3(Si3Al)O10(F,OH)2 |
20.000(4.41) | 200 | 24.600(3.59) | 200 | 18.600(4.75) | 160 | Sherwoodite | Ca9Al2V++++4V+++++24O80·56(H2O) |
20.000(4.41) | 200 | 6.230(14.20) | 160 | 10.780(8.20) | 100 | Hochelagaite | (Ca,Na,Sr)Nb4O11·8(H2O) |
20.000(4.41) | 200 | 9.340(9.46) | 160 | 13.280(6.65) | 160 | Kornelite | Fe+++2(SO4)3·7(H2O) |
20.000(4.41) | 200 | 8.720(10.14) | 140 | 6.700(13.20) | 80 | Halloysite | Al2Si2O5(OH)4 |
20.000(4.41) | 200 | 6.700(13.20) | 160 | 9.080(9.73) | 160 | Roscoelite | K(V,Al,Mg)2AlSi3O10(OH)2 |
20.020(4.41) | 200 | 6.658(13.29) | 160 | 6.320(14.00) | 140 | Norrishite | K(Mn+++2Li)Si4O10(O)2 |
20.098(4.39) | 200 | 5.436(16.29) | 100 | 17.646(5.00) | 100 | Varennesite | Na8Mn++2Si10O25(OH,Cl)2·12(H2O) |
20.100(4.39) | 200 | 16.900(5.22) | 80 | 9.260(9.54) | 40 | Hotsonite-VII | Al11(SO4)3(PO4)2(OH)21·16(H2O) |
20.100(4.39) | 200 | 9.960(8.87) | 140 | 14.020(6.30) | 140 | Whitmoreite | Fe++Fe+++2(PO4)2(OH)2·4(H2O) |
20.100(4.39) | 200 | 16.900(5.22) | 80 | 9.260(9.54) | 40 | Hotsonite-VI | Al5(SO4)(PO4)(OH)10·8(H2O) |
20.120(4.39) | 200 | 6.168(14.35) | 190 | 6.250(14.16) | 172 | Phosphowalpurgite | (UO2)Bi4(PO4)O4·2(H2O) |
20.180(4.38) | 200 | 6.672(13.26) | 112 | 10.040(8.80) | 26 | Fluorannite | KFe++3AlSi3O10F2 |
20.180(4.38) | 200 | 5.292(16.74) | 192 | 6.752(13.10) | 102 | Shirozulite | KMn3(AlSi3)O10(OH,F)2 |
20.200(4.37) | 200 | 6.520(13.57) | 160 | 7.860(11.25) | 120 | Wickenburgite | Pb3CaAl2Si10O27·4(H2O) |
20.200(4.37) | 200 | 5.180(17.10) | 200 | 9.060(9.75) | 160 | Glauconite | (K,Na)(Fe+++,Al,Mg)2(Si,Al)4O10(OH)2 |
20.240(4.36) | 200 | 6.780(13.05) | 182 | 8.100(10.91) | 156 | Balipholite | BaMg2LiAl3Si4O12(OH,F)8 |
20.300(4.35) | 200 | 7.160(12.35) | 180 | 10.120(8.73) | 160 | Novacekite | Mg(UO2)2(AsO4)2·12(H2O) |
20.318(4.35) | 200 | 3.392(26.25) | 100 | 7.368(12.00) | 100 | Tetraferriannite | K(Fe++,Mg)3(Fe+++,Al)Si3O10(OH)2 |
20.320(4.34) | 200 | 7.120(12.42) | 180 | 6.780(13.05) | 160 | Uranospinite | Ca(UO2)2(AsO4)2·10(H2O) |
20.326(4.34) | 200 | 5.958(14.86) | 180 | 6.880(12.86) | 160 | Chudobaite | (Mg,Zn)5(AsO3OH)2(AsO4)2·10(H2O) |
20.360(4.34) | 200 | 10.040(8.80) | 180 | 6.400(13.83) | 100 | Tyuyamunite | Ca(UO2)2V2O8·5-8(H2O) |
20.370(4.33) | 200 | 6.790(13.03) | 74 | 5.336(16.60) | 32 | Veselovskyite | (Zn,Cu,Co)Cu4(AsO4)2(AsO3OH)2·9H2O |
20.400(4.33) | 200 | 17.240(5.12) | 160 | 8.620(10.25) | 100 | Furongite | Al2(UO2)(PO4)3(OH)2·8(H2O) |
20.400(4.33) | 200 | 6.020(14.70) | 160 | 6.760(13.09) | 120 | Sideronatrite | Na2Fe+++(SO4)2(OH)·3(H2O) |
20.400(4.33) | 200 | 11.160(7.92) | 160 | 7.780(11.36) | 130 | Voggite | Na2Zr(PO4)(CO3)(OH)·2(H2O) |
20.400(4.33) | 200 | 7.760(11.39) | 180 | 10.520(8.40) | 160 | Cyanotrichite | Cu4Al2(SO4)(OH)12·2(H2O) |
20.400(4.33) | 200 | 16.040(5.51) | 140 | 7.336(12.05) | 120 | Lindackerite | CuCu4(AsO4)2(AsO3OH)2·~9(H2O) |
20.400(4.33) | 200 | 6.796(13.02) | 120 | 10.188(8.67) | 72 | Hendricksite | K(Zn,Mg,Mn)3Si3AlO10(OH)2 |
20.400(4.33) | 200 | 4.886(18.14) | 110 | 7.384(11.98) | 80 | Sveite | KAl7(NO3)4Cl2(OH)16·8(H2O) |
20.400(4.33) | 200 | 10.180(8.68) | 140 | 11.600(7.61) | 100 | Althupite | ThAl(UO2)7(PO4)4(OH)5·15(H2O) |
20.420(4.32) | 200 | 6.800(13.01) | 180 | 10.200(8.66) | 180 | Orthoserpierite | Ca(Cu,Zn)4(SO4)2(OH)6·3(H2O) |
20.440(4.32) | 200 | 5.784(15.31) | 100 | 6.790(13.03) | 80 | Vantasselite | Al4(PO4)3(OH)3·9(H2O) |
20.440(4.32) | 200 | 14.072(6.28) | 160 | 8.500(10.40) | 100 | Bendadaite | Fe++Fe+++2(AsO4)2(OH)2·4H2O |
20.440(4.32) | 200 | 6.772(13.06) | 180 | 10.180(8.68) | 180 | Serpierite | Ca(Cu,Zn)4(SO4)2(OH)6·3(H2O) |
20.440(4.32) | 200 | 10.198(8.66) | 190 | 6.784(13.04) | 130 | Devilline | CaCu4(SO4)2(OH)6·3(H2O) |
20.460(4.32) | 200 | 5.834(15.17) | 120 | 6.822(12.97) | 50 | Oyelite | Ca10B2Si8O29·12(H2O) |
20.480(4.31) | 200 | 6.816(12.98) | 120 | 5.132(17.26) | 90 | Tobelite | (NH4,K)Al2(Si3Al)O10(OH)2 |
20.560(4.29) | 200 | 5.880(15.05) | 80 | 11.780(7.50) | 68 | Holtite | Al6(Al,Ta)(BO3)[(SiO4,SbO4,AsO4)]3(O,OH)3 |
20.580(4.29) | 200 | 5.730(15.45) | 70 | 6.912(12.80) | 70 | Darapskite | Na3(SO4)(NO3)·(H2O) |
20.600(4.29) | 200 | 7.160(12.35) | 180 | 9.880(8.94) | 180 | Torbernite | Cu(UO2)2(PO4)2·8-12(H2O) |
20.600(4.29) | 200 | 15.920(5.55) | 180 | 5.740(15.42) | 160 | Kivuite | (Th,Ca,Pb)H2(UO2)4(PO4)2(OH)8·7(H2O) |
20.600(4.29) | 200 | 9.920(8.91) | 160 | 7.180(12.32) | 140 | Autunite | Ca(UO2)2(PO4)2·10-12(H2O) |
20.600(4.29) | 200 | 5.824(15.20) | 180 | 15.000(5.89) | 160 | Vashegyite | Al11(PO4)9(OH)6·38(H2O) or Al6(PO4)5(OH)3·23(H2O) |
20.600(4.29) | 200 | 6.760(13.09) | 160 | 5.300(16.71) | 140 | Annite | KFe++3AlSi3O10(OH,F)2 |
20.640(4.28) | 200 | 6.906(12.81) | 160 | 10.340(8.54) | 120 | Biringuccite | Na2B5O8(OH)·(H2O) |
20.660(4.27) | 200 | 6.300(14.05) | 34 | 6.240(14.18) | 30 | Ternovite | (Mg,Ca)Nb4O11-n(H2O) where n ~ 10 |
20.700(4.27) | 200 | 4.878(18.17) | 140 | 6.842(12.93) | 120 | Nabokoite | Cu++7Te++++O4(SO4)5·KCl |
20.740(4.26) | 200 | 6.164(14.36) | 120 | 9.650(9.16) | 120 | Beraunite | Fe++Fe+++5(PO4)4(OH)5·4(H2O) |
20.760(4.25) | 200 | 5.546(15.97) | 180 | 6.194(14.29) | 160 | Tiettaite | (Na,K)17Fe+++TiSi16O29(OH)30·2(H2O) |
20.800(4.24) | 200 | 6.160(14.37) | 160 | 10.340(8.54) | 140 | Phuralumite | Al2(UO2)3(PO4)2(OH)6·10(H2O) |
20.800(4.24) | 200 | 5.320(16.65) | 160 | 7.080(12.49) | 160 | Kupletskite-(Cs) | (Cs,K)2Na(Mn,Fe++,Li)7(Ti,Nb)2Si8O26(OH)4F |
20.800(4.24) | 200 | 6.640(13.32) | 140 | 5.180(17.10) | 100 | Veatchite-A | Sr2B11O16(OH)5·(H2O) |
20.800(4.24) | 200 | 6.620(13.36) | 120 | 5.184(17.09) | 60 | Veatchite-p | Sr2B11O16(OH)5·(H2O) |
20.800(4.24) | 200 | 21.200(4.16) | 140 | 13.840(6.38) | 80 | Zykaite | Fe+++4(AsO4)3(SO4)(OH)·15(H2O) |
20.800(4.24) | 200 | 6.220(14.23) | 160 | 9.320(9.48) | 160 | Sonoraite | Fe+++Te++++O3(OH)·(H2O) |
20.820(4.24) | 200 | 4.892(18.12) | 160 | 6.862(12.89) | 140 | Atlasovite | Cu6Fe+++Bi+++O4(SO4)5·KCl |
20.880(4.23) | 200 | 6.970(12.69) | 60 | 5.288(16.75) | 22 | Suhailite | (NH4)Fe3(Si3Al)O10(OH)2 |
20.900(4.22) | 200 | 10.458(8.45) | 100 | 6.970(12.69) | 60 | Hydrombobomkulite | (Ni,Cu)Al4(NO3,SO4)2(OH)12·14(H2O) |
20.900(4.22) | 200 | 6.102(14.50) | 48 | 7.014(12.61) | 42 | Geigerite | Mn5(AsO3OH)2(AsO4)2·10(H2O) |
20.902(4.22) | 200 | 3.838(23.16) | 160 | 5.804(15.25) | 140 | Birchite | Cd2Cu2(PO4)2(SO4)·5H2O |
20.914(4.22) | 200 | 7.752(11.41) | 96 | 5.536(16.00) | 72 | Lawsonbauerite | (Mn,Mg)9Zn4(SO4)2(OH)22·8(H2O) |
20.940(4.22) | 200 | 6.904(12.81) | 60 | 5.814(15.23) | 24 | Bokite | (Al,Fe+++)1.3(V++++,Fe)8O20·4.7(H2O) |
21.000(4.20) | 200 | 10.520(8.40) | 34 | 7.000(12.64) | 12 | Hydrowoodwardite | Cu1-xAlx(OH)2(SO4)x/2·n(H2O) with 0 < x < 0.67 and n > 3x/2 |
21.000(4.20) | 200 | 6.604(13.40) | 180 | 5.242(16.90) | 60 | Yofortierite | (Mn,Mg)5Si8O20(OH)2·8-9(H2O) |
21.000(4.20) | 200 | 5.840(15.16) | 160 | 6.080(14.56) | 120 | Jennite | Ca9Si6O18(OH)6·8H2O |
21.000(4.20) | 200 | 10.500(8.41) | 160 | 5.100(17.37) | 140 | Carrboydite | (Ni,Cu)14Al9(SO4,CO3)6(OH)43·7(H2O) |
21.002(4.20) | 200 | 6.236(14.19) | 140 | 7.674(11.52) | 140 | Alfredstelznerite | Ca4(H2O)4 [B4O4(OH)6]4 {H2O}15 |
21.020(4.20) | 200 | 6.968(12.69) | 120 | 5.212(17.00) | 80 | Kazakhstanite | Fe+++5V++++3V+++++12O39(OH)9·9(H2O) |
21.020(4.20) | 200 | 6.162(14.36) | 156 | 5.938(14.91) | 88 | Rimkorolgite | Mg5Ba(PO4)4·8(H2O) |
21.076(4.19) | 200 | 20.062(4.40) | 28 | 18.720(4.72) | 26 | Parwanite | (Na,K)(Mg,Ca)4Al8(PO4)8(CO3)(OH)7·30H2O |
21.080(4.19) | 200 | 7.020(12.60) | 140 | 5.574(15.89) | 120 | Shafranovskite | K2Na3(Mn++,Fe++,Na)4[Si9(O,OH)27](OH)2·n(H2O), n~2.33 |
21.120(4.18) | 200 | 6.392(13.84) | 160 | 12.760(6.92) | 100 | Intersilite | Na6Mn++Ti[Si10O24(OH)](OH)3·4(H2O) |
21.180(4.17) | 200 | 5.420(16.34) | 84 | 5.260(16.84) | 82 | Namuwite | (Zn,Cu)4(SO4)(OH)6·4(H2O) |
21.200(4.16) | 200 | 7.020(12.60) | 160 | 5.540(15.98) | 120 | Astrophyllite | K2Na(Fe++,Mn)7Ti2Si8O26(OH)4 |
21.200(4.16) | 200 | 11.720(7.54) | 180 | 12.680(6.97) | 120 | Dypingite | Mg5(CO3)4(OH)2·5(H2O) |
21.280(4.15) | 200 | 10.880(8.12) | 140 | 9.140(9.67) | 120 | Rankachite | CaFe++V+++++4W++++++8O36·12(H2O) |
21.340(4.14) | 200 | 7.120(12.42) | 36 | 6.346(13.94) | 26 | IMA2008-010 | CaCu4(AsO4)2(AsO3OH)2·10H2O |
21.360(4.13) | 200 | 3.680(24.16) | 160 | 6.960(12.71) | 60 | Fernandinite | CaV8O20·4(H2O) |
21.360(4.13) | 200 | 10.680(8.27) | 120 | 7.120(12.42) | 88 | Campigliaite | Cu4Mn(SO4)2(OH)6·4(H2O) |
21.380(4.13) | 200 | 6.102(14.50) | 160 | 6.242(14.18) | 160 | George-ericksenite | Na6CaMg(IO3)6(CrO4)2·12(H2O) |
21.400(4.13) | 200 | 5.900(15.00) | 100 | 6.980(12.67) | 80 | Rauvite | Ca(UO2)2V+++++10O28·16(H2O) |
21.400(4.13) | 200 | 17.040(5.18) | 80 | 15.800(5.59) | 70 | Vanalite | NaAl8V10O38·30(H2O) |
21.414(4.12) | 200 | 7.072(12.51) | 100 | 5.174(17.12) | 80 | Niobokupletskite | K2Na(Mn,Zn,Fe)7(Nb,Zr,Ti)2Si8O26(OH)4(O,F) |
21.440(4.12) | 200 | 7.140(12.39) | 160 | 4.032(22.03) | 70 | Girvasite | NaCa2Mg3(PO4)2[PO2(OH)2](CO3)(OH)2·4(H2O) |
21.452(4.12) | 200 | 6.026(14.69) | 120 | 12.048(7.33) | 100 | Creaseyite | Pb2Cu2(Fe+++,Al)2Si5O17·6(H2O) |
21.460(4.11) | 200 | 4.902(18.08) | 160 | 5.876(15.07) | 160 | Agardite-(Y) | (Y,Ca)Cu6(AsO4)3(OH)6·3(H2O) |
21.540(4.10) | 200 | 8.260(10.70) | 110 | 10.560(8.37) | 76 | Sanjuanite | Al2(PO4)(SO4)(OH)·9(H2O) |
21.580(4.09) | 200 | 16.240(5.44) | 160 | 12.200(7.24) | 140 | Partheite | Ca2Al4Si4O15(OH)2·4(H2O) |
21.600(4.09) | 200 | 6.600(13.40) | 180 | 5.450(16.25) | 120 | Guarinoite | (Zn,Co,Ni)6(SO4)(OH,Cl)10·5(H2O) |
21.600(4.09) | 200 | 23.380(3.78) | 160 | 5.862(15.10) | 140 | Moreauite | Al3(UO2)(PO4)3(OH)2·13(H2O) |
21.600(4.09) | 200 | 5.776(15.33) | 62 | 6.166(14.35) | 56 | Delindeite | Ba2(Na,K,[ ])3(Ti,Fe)[Ti2(O,OH)4Si4O14](H2O,OH)2 |
21.600(4.09) | 200 | 6.720(13.16) | 160 | 4.880(18.16) | 120 | Rauenthalite | Ca3(AsO4)2·10(H2O) |
21.620(4.08) | 200 | 21.680(4.07) | 200 | 5.662(15.64) | 180 | Ferrarisite | Ca5(AsO3OH)2(AsO4)2·9(H2O) |
21.620(4.08) | 200 | 3.874(22.94) | 10 | 7.180(12.32) | 10 | Corvusite | (Na,Ca,K)V8O20·4(H2O) |
21.640(4.08) | 200 | 5.276(16.79) | 80 | 4.470(19.85) | 60 | Tuperssuatsiaite | Na(Fe+++,Mn)3[Si8O20](OH)2·n(H2O) |
21.700(4.07) | 200 | 5.260(16.84) | 120 | 7.250(12.20) | 100 | Leogangite | Cu10(AsO4)4(SO4)(OH)6·8(H2O) |
21.700(4.07) | 200 | 10.914(8.09) | 40 | 11.816(7.48) | 24 | Vauxite | Fe++Al2(PO4)2(OH)2·6(H2O) |
21.740(4.06) | 200 | 6.320(14.00) | 140 | 5.760(15.37) | 120 | Smolianinovite | (Co,Ni,Mg,Ca)3(Fe+++,Al)2(AsO4)4·11(H2O) |
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