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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 |
| 5.852(15.13) | 200 | 3.400(26.19) | 120 | 4.934(17.96) | 100 | Sanmartinite | (Zn,Fe++)WO4 |
| 5.852(15.13) | 200 | 4.072(21.81) | 160 | 4.202(21.13) | 160 | Bohdanowiczite | AgBiSe2 |
| 5.852(15.13) | 200 | 5.720(15.48) | 106 | 5.106(17.35) | 102 | Dissakisite-(La) | (Ca,Fe++,Th, La)(La,REE,Ca)(Al,Cr,Ti)2(Mg,Fe,Al)Si3O12(OH,F) with La > Ce |
| 5.852(15.13) | 200 | 7.556(11.70) | 180 | 3.284(27.13) | 100 | Pinalite | Pb3(WO4)OCl2 |
| 5.854(15.12) | 200 | 6.870(12.88) | 88 | 5.930(14.93) | 72 | Dixenite | Cu+Mn++14Fe+++(As+++O3)5(SiO4)2(As+++++O4)(OH)6 |
| 5.858(15.11) | 100 | 3.198(27.87) | 50 | 3.970(22.38) | 50 | Zincospiroffite | Zn2Te3O8 |
| 5.858(15.11) | 200 | 5.952(14.87) | 200 | 7.146(12.38) | 180 | Watkinsonite | PbCu2Bi4(Se,S)8 |
| 5.858(15.11) | 200 | 5.252(16.87) | 182 | 3.372(26.41) | 84 | IMA2007-058 | TiO2 |
| 5.860(15.11) | 200 | 3.320(26.83) | 160 | 7.760(11.39) | 160 | Blixite | Pb8O5(OH)2Cl4 |
| 5.860(15.11) | 200 | 4.420(20.07) | 160 | 9.600(9.20) | 160 | Kafehydrocyanite | K4Fe++(CN)6·3(H2O) |
| 5.860(15.11) | 200 | 6.000(14.75) | 180 | 3.150(28.31) | 140 | Aeschynite-(Nd) | (Nd,Ce)(Ti,Nb)2(O,OH)6 |
| 5.860(15.11) | 200 | 8.640(10.23) | 130 | 12.720(6.94) | 100 | Herschelite | (Na,Ca,K)AlSi2O6·3(H2O) |
| 5.860(15.11) | 200 | 7.634(11.58) | 140 | 5.096(17.39) | 130 | Poppiite | Ca2(V+++,Fe+++,Mg)(V+++,Al)2(Si,Al)3(O,OH)14 |
| 5.860(15.11) | 200 | 4.220(21.03) | 160 | 4.040(21.98) | 140 | Moncheite | (Pt,Pd)(Te,Bi)2 |
| 5.860(15.11) | 200 | 11.340(7.79) | 180 | 4.342(20.44) | 160 | Florencite-(La) | (La,Ce)Al3(PO4)2(OH)6 |
| 5.860(15.11) | 200 | 7.570(11.68) | 100 | 5.650(15.67) | 80 | Mereheadite | Pb2O(OH)Cl |
| 5.860(15.11) | 200 | 11.320(7.80) | 142 | 6.966(12.70) | 100 | Waylandite | BiAl3(PO4)2(OH)6 |
| 5.860(15.11) | 200 | 5.640(15.70) | 80 | 5.014(17.67) | 60 | Zirconolite-2M | CaZrTi2O7 |
| 5.860(15.11) | 200 | 4.360(20.35) | 100 | 25.040(3.53) | 100 | Steigerite | AlVO4·3(H2O) |
| 5.860(15.11) | 200 | 6.180(14.32) | 180 | 6.360(13.91) | 160 | Wolfeite | (Fe++,Mn++)2(PO4)(OH) |
| 5.860(15.11) | 200 | 5.940(14.90) | 180 | 3.652(24.35) | 180 | Fedorite | KNa4Ca4(Al,Si)16O36(OH,F)4·6(H2O) |
| 5.860(15.11) | 200 | 6.580(13.45) | 120 | 2.000(45.30) | 100 | Daomanite | CuPtAsS2 |
| 5.860(15.11) | 200 | 13.130(6.73) | 310 | 9.500(9.30) | 130 | Pumpellyite-(Mn++) | Ca2(Mn++,Mg)(Al,Mn+++,Fe)2(SiO4)(Si2O7(OH)2·(H2O) |
| 5.862(15.10) | 200 | 4.064(21.85) | 170 | 13.100(6.74) | 132 | Lingunite | (Na,Ca)AlSi3O8 |
| 5.862(15.10) | 200 | 8.120(10.89) | 140 | 14.740(5.99) | 120 | Loudounite | NaCa5Zr4Si16O40(OH)11·8(H2O) |
| 5.864(15.10) | 200 | 11.728(7.53) | 178 | 6.099(14.51) | 174 | Alacranite | As8S9 |
| 5.866(15.09) | 200 | 8.980(9.84) | 180 | 5.310(16.68) | 160 | Mckelveyite-(Nd) | (Ba,Sr)(Ca,Na,Nd,REE)(CO3)2·3-10(H2O) |
| 5.866(15.09) | 200 | 5.118(17.31) | 170 | 7.924(11.16) | 110 | Liddicoatite | Ca(Li,Al)3Al6(BO3)3Si6O18(O,OH,F)4 |
| 5.866(15.09) | 200 | 5.478(16.17) | 150 | 9.100(9.71) | 140 | Arsenoclasite | Mn5(AsO4)2(OH)4 |
| 5.868(15.09) | 200 | 5.348(16.56) | 120 | 6.180(14.32) | 90 | Pyroxferroite | (Fe++,Mn)7[Si7O21] |
| 5.872(15.08) | 200 | 6.186(14.31) | 200 | 17.364(5.09) | 200 | Barringtonite | MgCO3·2(H2O) |
| 5.872(15.08) | 200 | 4.364(20.33) | 160 | 5.172(17.13) | 160 | Manganipiemontite-(Sr) | CaSr(Mn+++,Fe+++)2Al[Si3O12](OH) |
| 5.872(15.08) | 200 | 25.400(3.48) | 140 | 5.216(16.98) | 70 | Benleonardite | Ag8(Sb,As)Te2S3 |
| 5.874(15.07) | 200 | 7.776(11.37) | 102 | 15.620(5.65) | 70 | Belkovite | Ba3(Nb,Ti)6(Si2O7)2O12 |
| 5.874(15.07) | 200 | 5.404(16.39) | 180 | 5.318(16.66) | 160 | Polyphite-VIII | Na17Ca3Mg(Ti,Mn)4[Si2O7]2(PO4)6O2F6 |
| 5.874(15.07) | 200 | 5.404(16.39) | 180 | 5.318(16.66) | 160 | Polyphite-VII | Na17Ca3Mg(Ti,Mn)4[Si2O7]2(PO4)6O2F6 |
| 5.874(15.07) | 200 | 6.390(13.85) | 130 | 6.738(13.13) | 120 | Topaz | Al2SiO4(F,OH)2 |
| 5.876(15.07) | 200 | 5.996(14.76) | 200 | 6.200(14.27) | 200 | Manganbabingtonite | Ca2(Mn,Fe++)Fe+++Si5O14(OH) |
| 5.876(15.07) | 200 | 6.350(13.93) | 200 | 6.796(13.02) | 200 | Ferrilotharmeyerite | Ca(Zn,Cu++)(Fe+++,Zn)(AsO4)2(OH,H2O)2 |
| 5.880(15.05) | 200 | 3.662(24.29) | 100 | 4.018(22.10) | 100 | IMA2008-009 | Sr5(PO4)3F |
| 5.880(15.05) | 200 | 3.966(22.40) | 180 | 5.360(16.53) | 160 | Testibiopalladite | PdTe(Sb,Te) |
| 5.880(15.05) | 200 | 6.214(14.24) | 180 | 6.442(13.73) | 140 | Triploidite | (Mn,Fe++)2(PO4)(OH) |
| 5.880(15.05) | 200 | 3.780(23.52) | 188 | 4.380(20.26) | 172 | Woodhouseite | CaAl3(PO4)(SO4)(OH)6 |
| 5.880(15.05) | 200 | 6.000(14.75) | 200 | 3.162(28.20) | 140 | Tantalaeschynite-(Y) | (Y,Ce,Ca)(Ta,Ti,Nb)2O6 |
| 5.880(15.05) | 200 | 11.840(7.46) | 120 | 8.880(9.95) | 80 | Paranatrolite | Na2[Al2Si3O10]·3(H2O) |
| 5.880(15.05) | 200 | 3.628(24.52) | 60 | 3.674(24.20) | 50 | Kutnohorite | Ca(Mn,Mg,Fe++)(CO3)2 |
| 5.880(15.05) | 200 | 3.420(26.03) | 180 | 4.480(19.80) | 160 | Uvanite | U++++++2V+++++6O21·15(H2O) |
| 5.880(15.05) | 200 | 6.580(13.45) | 200 | 3.300(27.00) | 160 | Bazzite | Be3(Sc,Al)2Si6O18 |
| 5.880(15.05) | 200 | 6.740(13.12) | 100 | 2.944(30.34) | 100 | Crerarite | (Pt,Pb)Bi3(S,Se)4-x (x~0.7) |
| 5.880(15.05) | 200 | 8.860(9.98) | 180 | 5.780(15.32) | 160 | Orthojoaquinite-(Ce) | NaFe++Ba2Ce2Ti2[Si4O12]2 O2(OH)·(H2O) |
| 5.880(15.05) | 200 | 6.000(14.75) | 180 | 6.200(14.27) | 160 | Roeblingite | Pb2Ca6(Si6O18)(SO4)2(OH)2·4(H2O) |
| 5.880(15.05) | 200 | 3.940(22.55) | 112 | 10.080(8.77) | 106 | Paratooite-(La) | REE3(Ca,Sr)2NaCu(CO3)8 |
| 5.880(15.05) | 200 | 4.956(17.88) | 96 | 5.726(15.46) | 90 | Kushiroite | CaAl2SiO6 |
| 5.880(15.05) | 200 | 3.602(24.70) | 160 | 3.070(29.06) | 100 | Tennantite | (Cu,Fe)12As4S13 |
| 5.880(15.05) | 200 | 13.200(6.69) | 160 | 9.340(9.46) | 140 | Mountainite | (Ca,Na2,K2)2Si4O10·3(H2O) |
| 5.880(15.05) | 200 | 6.120(14.46) | 160 | 3.780(23.52) | 120 | Rosenbuschite | (Ca,Na)3(Zr,Ti)Si2O8F |
| 5.882(15.05) | 200 | 6.370(13.89) | 200 | 7.648(11.56) | 188 | Mazzite-Mg | K2CaMg2(Al,Si)36O72·28(H2O) |
| 5.882(15.05) | 200 | 9.500(9.30) | 90 | 7.504(11.78) | 70 | Ferberite | Fe++WO4 |
| 5.884(15.04) | 200 | 8.108(10.90) | 120 | 4.278(20.75) | 70 | Phosphohedyphane | Ca2Pb3(PO4)3Cl |
| 5.886(15.04) | 200 | 6.890(12.84) | 180 | 8.960(9.86) | 180 | Stillwellite-(Ce) | (Ce,La,Ca)BSiO5 |
| 5.886(15.04) | 200 | 3.610(24.64) | 140 | 6.148(14.39) | 120 | Putzite | (Cu4.7Ag3.3)GeS6 |
| 5.888(15.03) | 200 | 7.844(11.27) | 170 | 5.626(15.74) | 60 | Plumboferrite | Pb2Fe+++(11-x)Mn++xO19-2x (x=1/3) |
| 5.890(15.03) | 200 | 11.420(7.74) | 190 | 7.006(12.62) | 80 | Zairite | Bi(Fe+++,Al)3(PO4)2(OH)6 |
| 5.892(15.02) | 200 | 6.268(14.12) | 178 | 6.218(14.23) | 138 | Tanohataite | LiMn2Si3O8(OH) |
| 5.892(15.02) | 200 | 6.022(14.70) | 200 | 5.628(15.73) | 180 | Sahlinite | Pb14(AsO4)2O9Cl4 |
| 5.892(15.02) | 200 | 6.360(13.91) | 164 | 4.482(19.79) | 148 | Jadarite | LiNaB3SiO7(OH) |
| 5.894(15.02) | 200 | 5.100(17.37) | 140 | 5.382(16.46) | 130 | Rhonite | Ca2(Mg,Fe++,Fe+++,Ti)6(Si,Al)6O20 |
| 5.896(15.01) | 200 | 11.386(7.76) | 186 | 6.994(12.65) | 180 | Florencite-(Nd) | (Nd,Ce)Al3(PO4)2(OH)6 |
| 5.896(15.01) | 200 | 5.798(15.27) | 162 | 5.006(17.70) | 132 | Gartrellite | Pb(Cu,Fe++)2(AsO4,SO4)2(CO3,H2O)0.7 |
| 5.898(15.01) | 200 | 5.360(16.53) | 170 | 5.208(17.01) | 160 | Kirschsteinite | CaFe++SiO4 |
| 5.898(15.01) | 200 | 5.468(16.20) | 160 | 5.660(15.64) | 160 | Freedite | Pb8Cu+(As+++O3)2O3Cl5 |
| 5.898(15.01) | 200 | 7.662(11.54) | 180 | 5.144(17.22) | 152 | Julgoldite-(Fe++) | Ca2Fe++(Fe+++,Al)2(SiO4)(Si2O7)(OH)2·(H2O) |
| 5.900(15.00) | 200 | 7.300(12.11) | 100 | 5.020(17.65) | 60 | Ashanite | (Nb,Ta,U,Fe,Mn)4O8 |
| 5.900(15.00) | 200 | 7.000(12.64) | 140 | 11.420(7.74) | 140 | Florencite-(Ce) | CeAl3(PO4)2(OH)6 |
| 5.900(15.00) | 200 | 5.740(15.42) | 120 | 6.600(13.40) | 80 | Burpalite | Na2CaZrSi2O7F2 |
| 5.900(15.00) | 200 | 6.040(14.65) | 200 | 6.180(14.32) | 50 | Yttropyrochlore-(Y) | (Y,Na,Ca,U)1-2(Nb,Ta,Ti)2(O,OH)7 |
| 5.900(15.00) | 200 | 5.280(16.78) | 120 | 7.360(12.01) | 120 | Wegscheiderite | Na5(CO3)(HCO3)3 |
| 5.900(15.00) | 200 | 7.560(11.70) | 160 | 4.920(18.01) | 70 | Otavite | CdCO3 |
| 5.900(15.00) | 200 | 4.360(20.35) | 140 | 6.240(14.18) | 120 | Pyroxmangite | (Mn,Fe++)SiO3 |
| 5.900(15.00) | 200 | 5.284(16.76) | 180 | 6.318(14.01) | 140 | Duhamelite | Pb2Cu4Bi(VO4)4(OH)3·8(H2O) |
| 5.900(15.00) | 200 | 7.840(11.28) | 180 | 4.260(20.83) | 160 | Dimorphite | As4S3 |
| 5.900(15.00) | 200 | 8.960(9.86) | 200 | 11.000(8.03) | 120 | Starkeyite | MgSO4·4(H2O) |
| 5.900(15.00) | 200 | 11.820(7.47) | 180 | 3.620(24.57) | 160 | Partzite | Cu2Sb2(O,OH)7 (?) |
| 5.900(15.00) | 200 | 6.820(12.97) | 100 | 8.400(10.52) | 80 | Otjisumeite | PbGe4O9 |
| 5.900(15.00) | 200 | 7.020(12.60) | 120 | 11.300(7.82) | 110 | Arsenoflorencite-(Nd) | (Nd,La,Ce,Ba)(Al,Fe+++)3(AsO4,PO4)2(OH)6 |
| 5.900(15.00) | 200 | 3.620(24.57) | 180 | 3.100(28.77) | 180 | Yttrotantalite-(Y) | (Y,U,Fe++)(Ta,Nb)O4 |
| 5.900(15.00) | 200 | 7.020(12.60) | 120 | 11.300(7.82) | 110 | Arsenoflorencite-(La) | (La,Sr)Al3(AsO4,SO4,PO4)2(OH)6 |
| 5.900(15.00) | 200 | 3.654(24.34) | 160 | 12.000(7.36) | 160 | Romeite | (Ca,Fe++,Mn,Na)2(Sb,Ti)2O6(O,OH,F) |
| 5.900(15.00) | 200 | 7.020(12.60) | 120 | 11.400(7.75) | 110 | Eylettersite | (Th,Pb)1-xAl3(PO4,SiO4)2(OH)6 (?) |
| 5.900(15.00) | 200 | 7.680(11.51) | 160 | 5.140(17.24) | 140 | Julgoldite-(Fe+++) | Ca2Fe+++(Fe+++,Al)2(SiO4)(Si2O7)(O,OH)2·(H2O) |
| 5.900(15.00) | 200 | 3.908(22.74) | 100 | 6.940(12.74) | 84 | Cerite-(Ce) | Ce+++9Fe+++(SiO4)6[(SiO3)(OH)](OH)3 |
| 5.900(15.00) | 200 | 3.886(22.87) | 160 | 4.140(21.45) | 160 | Hydroxylbastnasite-(La) | La(CO3)(OH) |
| 5.902(15.00) | 200 | 5.598(15.82) | 104 | 3.670(24.23) | 92 | Cupropolybasite | [Cu6Sb2S7][Ag9CuS4] |
| 5.904(14.99) | 200 | 5.244(16.89) | 136 | 9.012(9.81) | 130 | Yedlinite | Pb6CrCl6(O,OH)8 |
| 5.906(14.99) | 200 | 6.720(13.16) | 50 | 9.920(8.91) | 50 | Foshagite | Ca4Si3O9(OH)2 |
| 5.910(14.98) | 200 | 8.720(10.14) | 184 | 7.410(11.93) | 180 | Ancylite-(La) | Sr(La,Ce)(CO3)2(OH)·(H2O) |
| 5.910(14.98) | 200 | 3.070(29.06) | 180 | 3.446(25.83) | 180 | Columbite-(Mg) | (Mg,Fe++,Mn)(Nb,Ta)2O6 |
| 5.912(14.97) | 200 | 5.512(16.07) | 188 | 5.512(16.07) | 174 | Manganvesuvianite | Ca19Mn+++(Al,Mn+++,Fe+++)10(Mg,Mn++)2Si18O69(OH)9 |
| 5.914(14.97) | 200 | 5.980(14.80) | 160 | 4.130(21.50) | 140 | Pyromorphite | Pb5(PO4)3Cl |
| 5.914(14.97) | 200 | 3.254(27.39) | 120 | 5.504(16.09) | 120 | Asisite | Pb12(SiO4)O8Cl4 |