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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 |
| 5.080(17.44) | 200 | 2.940(30.38) | 160 | 4.460(19.89) | 100 | Feroxyhyte | Fe+++O(OH) |
| 5.080(17.44) | 200 | 7.020(12.60) | 180 | 8.580(10.30) | 180 | Triphylite | LiFe++PO4 |
| 5.080(17.44) | 200 | 3.600(24.71) | 126 | 11.800(7.49) | 126 | Lawrencite | (Fe++,Ni)Cl2 |
| 5.080(17.44) | 200 | 5.632(15.72) | 200 | 7.056(12.53) | 200 | Junitoite | CaZn2Si2O7·(H2O) |
| 5.080(17.44) | 200 | 2.968(30.08) | 180 | 3.230(27.59) | 140 | Brunogeierite | (Ge++,Fe++)Fe+++2O4 |
| 5.080(17.44) | 200 | 5.300(16.71) | 170 | 7.780(11.36) | 96 | Radtkeite | Hg3S2ClI |
| 5.080(17.44) | 200 | 9.340(9.46) | 180 | 10.420(8.48) | 160 | Nastrophite | Na(Sr,Ba)(PO4)·9(H2O) |
| 5.090(17.41) | 200 | 5.656(15.65) | 176 | 6.376(13.88) | 170 | Cobaltlotharmeyerite | Ca(Co,Fe,Ni)2(AsO4)2(OH,H2O)2 |
| 5.090(17.41) | 200 | 4.650(19.07) | 180 | 3.432(25.94) | 160 | Gersdorffite | NiAsS |
| 5.090(17.41) | 200 | 5.280(16.78) | 200 | 5.870(15.08) | 160 | Kullerudite | NiSe2 |
| 5.094(17.39) | 200 | 2.972(30.04) | 180 | 8.912(9.92) | 180 | Saliotite | Na0.5Li0.5Al3AlSi3O10(OH)5 |
| 5.094(17.39) | 200 | 10.180(8.68) | 140 | 11.500(7.68) | 140 | Donharrisite | Ni8Hg3S9 |
| 5.096(17.39) | 200 | 6.102(14.50) | 180 | 7.032(12.58) | 100 | Lithiophilite | LiMnPO4 |
| 5.098(17.38) | 200 | 10.180(8.68) | 180 | 11.780(7.50) | 180 | Dumortierite | Al6.5-7(BO3)(SiO4)3(O,OH)3 |
| 5.100(17.37) | 200 | 6.160(14.37) | 200 | 6.960(12.71) | 180 | Prehnite | Ca2Al2Si3O10(OH)2 |
| 5.100(17.37) | 200 | 5.480(16.16) | 180 | 5.600(15.81) | 160 | Langbanite | (Mn,Ca,Fe)++4(Mn+++,Fe+++)9Sb+++++Si2O24 |
| 5.100(17.37) | 200 | 3.260(27.33) | 140 | 3.000(29.76) | 120 | Manganochromite | (Mn,Fe++)(Cr,V)2O4 |
| 5.100(17.37) | 200 | 5.960(14.85) | 200 | 3.910(22.72) | 180 | Balkanite | Cu9Ag5HgS8 |
| 5.100(17.37) | 200 | 5.220(16.97) | 200 | 9.040(9.78) | 200 | Beidellite | Na0.5Al2(Si3.5Al0.5)O10(OH)2·n(H2O) |
| 5.100(17.37) | 200 | 5.780(15.32) | 180 | 5.200(17.04) | 160 | Nierite | Si3N4 |
| 5.100(17.37) | 200 | 8.320(10.62) | 200 | 24.600(3.59) | 200 | Stilpnomelane | K(Fe++,Mg,Fe+++)8(Si,Al)12(O,OH)27·n(H2O) |
| 5.100(17.37) | 200 | 6.780(13.05) | 92 | 9.720(9.09) | 74 | Schwertmannite | Fe+++16O16(OH)12(SO4)2 |
| 5.100(17.37) | 200 | 2.998(29.78) | 160 | 5.980(14.80) | 140 | Franklinite | (Zn,Mn++,Fe++)(Fe+++,Mn+++)2O4 |
| 5.100(17.37) | 200 | 7.780(11.36) | 200 | 5.620(15.76) | 160 | Fiedlerite | Pb3Cl4F(OH)2 |
| 5.100(17.37) | 200 | 5.380(16.46) | 160 | 11.800(7.49) | 100 | Chlormanganokalite | K4MnCl6 |
| 5.102(17.37) | 200 | 6.860(12.89) | 160 | 7.900(11.19) | 140 | Olenite | NaAl3Al6(BO3)3(Si6O18)(O,OH)4 |
| 5.104(17.36) | 200 | 3.354(26.55) | 120 | 3.446(25.83) | 100 | Nelenite | (Mn,Fe++)16Si12As+++3O36(OH)17 |
| 5.104(17.36) | 200 | 4.952(17.90) | 180 | 5.686(15.57) | 130 | Rammelsbergite | NiAs2 |
| 5.110(17.34) | 200 | 4.070(21.82) | 160 | 11.626(7.60) | 160 | Paracostibite | CoSbS |
| 5.110(17.34) | 200 | 6.364(13.90) | 200 | 5.436(16.29) | 160 | Manganlotharmeyerite | Ca(Mn+++,Mg,)2(AsO4)2(OH,H2O)2 |
| 5.112(17.33) | 200 | 4.020(22.09) | 120 | 5.646(15.68) | 100 | Suanite | Mg2B2O5 |
| 5.114(17.33) | 200 | 6.350(13.93) | 180 | 6.828(12.95) | 180 | Lotharmeyerite | CaZnMn+++(AsO3OH)4(OH)3 |
| 5.114(17.33) | 200 | 13.620(6.48) | 90 | 4.534(19.56) | 70 | Rorisite | (Ca,Mg)FCl |
| 5.118(17.31) | 200 | 3.004(29.72) | 160 | 3.266(27.28) | 80 | Vuorelainenite | (Mn++,Fe++)(V+++,Cr+++)2O4 |
| 5.118(17.31) | 200 | 8.100(10.91) | 180 | 24.400(3.62) | 160 | Philipsburgite | (Cu,Zn)6(AsO4,PO4)2(OH)6·(H2O) |
| 5.118(17.31) | 200 | 5.042(17.58) | 190 | 4.742(18.70) | 130 | Pararammelsbergite | NiAs2 |
| 5.120(17.31) | 200 | 4.440(19.98) | 180 | 3.148(28.33) | 160 | Niobocarbide | (Nb,Ta)C |
| 5.120(17.31) | 200 | 3.824(23.24) | 160 | 2.820(31.70) | 140 | Gudmundite | FeSbS |
| 5.120(17.31) | 200 | 6.420(13.78) | 140 | 4.220(21.03) | 140 | Clintonite | Ca(Mg,Al)3(Al3Si)O10(OH)2 |
| 5.120(17.31) | 200 | 14.340(6.16) | 180 | 7.200(12.28) | 140 | Friedelite | Mn8Si6O15(OH,Cl)10 |
| 5.120(17.31) | 200 | 14.320(6.17) | 140 | 5.776(15.33) | 120 | Mcgillite | (Mn,Fe++)8Si6O15(OH)8Cl2 |
| 5.120(17.31) | 200 | 5.720(15.48) | 170 | 7.220(12.25) | 170 | Tephroite | Mn2SiO4 |
| 5.120(17.31) | 200 | 14.200(6.22) | 180 | 7.096(12.46) | 120 | Cronstedtite | Fe++2Fe+++(SiFe+++)O5(OH)4 |
| 5.120(17.31) | 200 | 5.320(16.65) | 200 | 4.460(19.89) | 120 | Naumannite | Ag2Se |
| 5.120(17.31) | 200 | 3.054(29.22) | 140 | 3.324(26.80) | 120 | Filipstadite | (Mn++,Mg)4Sb+++++Fe+++O8 |
| 5.124(17.29) | 200 | 9.920(8.91) | 140 | 11.040(8.00) | 140 | Shortite | Na2Ca2(CO3)3 |
| 5.124(17.29) | 200 | 3.354(26.55) | 182 | 6.276(14.10) | 148 | IMA2009-033 | Ca3Sn2Fe2SiO12 |
| 5.126(17.29) | 200 | 3.006(29.70) | 80 | 6.010(14.73) | 70 | Jacobsite | (Mn++,Fe++,Mg)(Fe+++,Mn+++)2O4 |
| 5.134(17.26) | 200 | 7.938(11.14) | 200 | 8.422(10.50) | 180 | Magnesiofoitite | [ ](Mg2Al)Al6(Si6O18)(BO3)3(OH)4 |
| 5.138(17.24) | 200 | 3.080(28.97) | 100 | 5.746(15.41) | 80 | Almandine | Fe++3Al2(SiO4)3 |
| 5.140(17.24) | 200 | 10.140(8.71) | 160 | 4.320(20.54) | 120 | Azoproite | (Mg,Fe++)2(Fe+++,Ti,Mg)BO5 |
| 5.140(17.24) | 200 | 8.352(10.58) | 76 | 5.914(14.97) | 60 | Yuanfuliite | (Mg,Fe++)(Fe+++,Al,Mg,Ti,Fe++)(BO3)O |
| 5.140(17.24) | 200 | 3.012(29.63) | 80 | 6.032(14.67) | 80 | Iwakiite | Mn++(Fe+++,Mn+++)2O4 |
| 5.142(17.23) | 200 | 14.240(6.20) | 160 | 7.118(12.42) | 160 | Greenalite | (Fe++,Fe+++)2-3Si2O5(OH)4 |
| 5.142(17.23) | 200 | 5.204(17.02) | 190 | 3.008(29.67) | 182 | Ganterite | [Ba0.5(Na,K)0.5]Al2(Si2.5Al1.5O10)(OH)2 |
| 5.146(17.22) | 200 | 6.904(12.81) | 182 | 12.676(6.97) | 168 | Foitite | [ ]Na<0.5(Fe++,Al)3Al6Si6O18(BO3)3(OH)4 |
| 5.148(17.21) | 200 | 5.458(16.23) | 180 | 5.414(16.36) | 160 | Maricite | NaFe++PO4 |
| 5.148(17.21) | 200 | 5.822(15.21) | 140 | 8.420(10.50) | 120 | Ardennite-(As) | (Mn++,Ca,Mg)4(Al,Mg,Fe)6(SiO4)2(Si3O10)(AsO4,VO4)(OH)6 |
| 5.148(17.21) | 200 | 3.018(29.57) | 90 | 3.286(27.11) | 70 | Ulvospinel | TiFe++2O4 |
| 5.150(17.20) | 200 | 9.100(9.71) | 160 | 6.700(13.20) | 120 | Voloshinite | Rb(LiAl1.5[ ]0.5)(Al0.5Si3.5)O10F2 |
| 5.150(17.20) | 200 | 10.300(8.58) | 60 | 3.072(29.04) | 34 | Vonsenite | Fe++2Fe+++BO5 |
| 5.152(17.20) | 200 | 5.922(14.95) | 170 | 7.980(11.08) | 170 | Schorl | NaFe++3Al6(BO3)3Si6O18(OH)4 |
| 5.152(17.20) | 200 | 5.922(14.95) | 170 | 7.980(11.08) | 170 | Elbaite | Na(Li,Al)3Al6(BO3)3Si6O18(OH)4 |
| 5.152(17.20) | 200 | 5.922(14.95) | 170 | 7.980(11.08) | 170 | Dravite | NaMg3Al6(BO3)3Si6O18(OH)4 |
| 5.156(17.18) | 200 | 5.372(16.49) | 200 | 2.870(31.14) | 180 | Fluorocannilloite | CaCa2(Mg4Al)Si5Al3O22F2 |
| 5.158(17.18) | 200 | 5.114(17.33) | 180 | 9.238(9.57) | 80 | Nullaginite | Ni2(CO3)(OH)2 |
| 5.160(17.17) | 200 | 5.920(14.95) | 170 | 7.980(11.08) | 170 | Buergerite | NaFe+++3Al6(BO3)3Si6O21F |
| 5.160(17.17) | 200 | 4.216(21.05) | 112 | 10.320(8.56) | 44 | Sakhaite | Ca3Mg(BO3)2(CO3)·0.36(H2O) |
| 5.160(17.17) | 200 | 9.060(9.75) | 170 | 7.280(12.15) | 160 | Celadonite | K(Mg,Fe++)(Fe+++,Al)[Si4O10](OH)2 |
| 5.160(17.17) | 200 | 3.000(29.76) | 100 | 3.200(27.86) | 100 | Warwickite | Mg(Ti,Fe+++,Al)(BO3)O |
| 5.160(17.17) | 200 | 7.300(12.11) | 180 | 6.220(14.23) | 102 | Kenhsuite | Hg3S2Cl2 |
| 5.162(17.16) | 200 | 3.640(24.43) | 140 | 7.320(12.08) | 100 | Koashvite | Na6(Ca,Mn)(Ti,Fe)Si6O18·(H2O) |
| 5.164(17.16) | 200 | 8.360(10.57) | 180 | 5.062(17.51) | 140 | Olympite | LiNa5(PO4)2 |
| 5.168(17.14) | 200 | 5.002(17.72) | 180 | 5.854(15.12) | 180 | Namansilite | NaMn+++(Si2O6) |
| 5.168(17.14) | 200 | 11.116(7.95) | 172 | 6.140(14.41) | 146 | Mozartite | CaMn+++SiO4(OH) |
| 5.170(17.14) | 200 | 5.970(14.83) | 160 | 3.656(24.33) | 120 | Keilite | (Fe,Mn,Mg,Ca,Cr)S |
| 5.170(17.14) | 200 | 4.460(19.89) | 180 | 8.980(9.84) | 180 | Niksergievite | [Ba,Ca)2(Al,Si)7O10(CO3)(OH)6·nH2O |
| 5.172(17.13) | 200 | 5.958(14.86) | 160 | 8.480(10.42) | 120 | Feruvite | (Ca,Na)(Fe,Mg,Ti)3(Al,Mg,Fe)6(BO3)3Si6O18(OH)4 |
| 5.174(17.12) | 200 | 7.360(12.01) | 140 | 5.032(17.61) | 80 | Glaukosphaerite | (Cu,Ni)2(CO3)(OH)2 |
| 5.176(17.12) | 200 | 9.080(9.73) | 186 | 4.818(18.40) | 174 | Chromceladonite | KCrMg(Si4O10)(OH)2 |
| 5.176(17.12) | 200 | 4.728(18.75) | 160 | 3.092(28.85) | 120 | Dzharkenite | FeSe2 |
| 5.178(17.11) | 200 | 5.218(16.98) | 140 | 6.012(14.72) | 140 | Remondite-(Ce) | Na3(Ce,La,Ca,Na,Sr)3(CO3)5 |
| 5.180(17.10) | 200 | 7.840(11.28) | 200 | 6.040(14.65) | 140 | Fedorovskite | Ca2(Mg,Mn)2B4O7(OH)6 |
| 5.180(17.10) | 200 | 9.580(9.22) | 200 | 19.080(4.63) | 200 | Chalcophyllite | Cu++18Al2(AsO4)3(SO4)3(OH)27·33(H2O) |
| 5.180(17.10) | 200 | 6.580(13.45) | 200 | 6.000(14.75) | 160 | Crookesite | Cu7(Tl,Ag)Se4 |
| 5.180(17.10) | 200 | 4.980(17.80) | 170 | 3.780(23.52) | 160 | Ferroselite | FeSe2 |
| 5.180(17.10) | 200 | 4.972(17.82) | 180 | 10.320(8.56) | 160 | Fredrikssonite | Mg2(Mn+++,Fe+++)O2(BO3) |
| 5.180(17.10) | 200 | 4.280(20.74) | 180 | 5.420(16.34) | 180 | Penzhinite | (Ag,Cu)4Au(S,Se)4 |
| 5.184(17.09) | 200 | 3.670(24.23) | 70 | 4.386(20.23) | 70 | Skutterudite | (Co,Ni)As3-x |
| 5.186(17.08) | 200 | 3.492(25.49) | 160 | 4.730(18.74) | 160 | Krutovite | NiAs2 |
| 5.192(17.06) | 200 | 5.062(17.51) | 170 | 10.384(8.51) | 130 | Orthopinakiolite | (Mg,Mn++)2Mn+++BO5 |
| 5.192(17.06) | 200 | 6.362(13.91) | 144 | 3.876(22.93) | 128 | Seifertite | SiO2 |
| 5.192(17.06) | 200 | 4.242(20.92) | 180 | 6.080(14.56) | 160 | Buryatite | Ca3(Si,Fe+++,Al)[SO4][B(OH)4](OH,O)6·12(H2O) |
| 5.192(17.06) | 200 | 5.006(17.70) | 180 | 3.816(23.29) | 160 | Costibite | CoSbS |
| 5.196(17.05) | 200 | 18.652(4.73) | 170 | 6.836(12.94) | 160 | Gerstmannite | (Mg,Mn)2ZnSiO4(OH)2 |
| 5.196(17.05) | 200 | 8.342(10.60) | 140 | 6.698(13.21) | 120 | Chantalite | CaAl2SiO4(OH)4 |
| 5.196(17.05) | 200 | 5.732(15.45) | 180 | 10.720(8.24) | 160 | Nabaphite | NaBaPO4·9(H2O) |
| 5.196(17.05) | 200 | 5.782(15.31) | 140 | 8.674(10.19) | 120 | Frankhawthorneite | Cu2Te++++++O4(OH)2 |
| 5.200(17.04) | 200 | 4.886(18.14) | 120 | 14.580(6.06) | 100 | Dioptase | CuSiO2(OH)2 |
| 5.200(17.04) | 200 | 3.632(24.49) | 160 | 5.040(17.58) | 160 | Kazakovite | Na6Mn++TiSi6O18 |