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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 |
| 5.138(17.24) | 200 | 3.080(28.97) | 100 | 5.746(15.41) | 80 | Almandine | Fe++3Al2(SiO4)3 |
| 5.140(17.24) | 200 | 3.012(29.63) | 80 | 6.032(14.67) | 80 | Iwakiite | Mn++(Fe+++,Mn+++)2O4 |
| 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 | 10.140(8.71) | 160 | 4.320(20.54) | 120 | Azoproite | (Mg,Fe++)2(Fe+++,Ti,Mg)BO5 |
| 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 | 3.018(29.57) | 90 | 3.286(27.11) | 70 | Ulvospinel | TiFe++2O4 |
| 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 |
| 5.150(17.20) | 200 | 10.300(8.58) | 60 | 3.072(29.04) | 34 | Vonsenite | Fe++2Fe+++BO5 |
| 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 |
| 5.152(17.20) | 200 | 5.922(14.95) | 170 | 7.980(11.08) | 170 | Dravite | NaMg3Al6(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 | Schorl | NaFe++3Al6(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 | 3.000(29.76) | 100 | 3.200(27.86) | 100 | Warwickite | Mg(Ti,Fe+++,Al)(BO3)O |
| 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 | 4.216(21.05) | 112 | 10.320(8.56) | 44 | Sakhaite | Ca3Mg(BO3)2(CO3)·0.36(H2O) |
| 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 | 11.116(7.95) | 172 | 6.140(14.41) | 146 | Mozartite | CaMn+++SiO4(OH) |
| 5.168(17.14) | 200 | 5.002(17.72) | 180 | 5.854(15.12) | 180 | Namansilite | NaMn+++(Si2O6) |
| 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 |
| 5.170(17.14) | 200 | 5.970(14.83) | 160 | 3.656(24.33) | 120 | Keilite | (Fe,Mn,Mg,Ca,Cr)S |
| 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 | 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 | 4.280(20.74) | 180 | 5.420(16.34) | 180 | Penzhinite | (Ag,Cu)4Au(S,Se)4 |
| 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 | 7.840(11.28) | 200 | 6.040(14.65) | 140 | Fedorovskite | Ca2(Mg,Mn)2B4O7(OH)6 |
| 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) |
| 5.184(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 | 5.006(17.70) | 180 | 3.816(23.29) | 160 | Costibite | CoSbS |
| 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 | 5.062(17.51) | 170 | 10.384(8.51) | 130 | Orthopinakiolite | (Mg,Mn++)2Mn+++BO5 |
| 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 | 5.732(15.45) | 180 | 10.720(8.24) | 160 | Nabaphite | NaBaPO4·9(H2O) |
| 5.196(17.05) | 200 | 8.342(10.60) | 140 | 6.698(13.21) | 120 | Chantalite | CaAl2SiO4(OH)4 |
| 5.196(17.05) | 200 | 5.782(15.31) | 140 | 8.674(10.19) | 120 | Frankhawthorneite | Cu2Te++++++O4(OH)2 |
| 5.200(17.04) | 200 | 3.820(23.27) | 160 | 4.140(21.45) | 160 | Caswellsilverite | NaCrS2 |
| 5.200(17.04) | 200 | 3.632(24.49) | 160 | 5.040(17.58) | 160 | Kazakovite | Na6Mn++TiSi6O18 |
| 5.200(17.04) | 200 | 4.886(18.14) | 120 | 14.580(6.06) | 100 | Dioptase | CuSiO2(OH)2 |
| 5.200(17.04) | 200 | 4.340(20.45) | 180 | 12.200(7.24) | 140 | Pokrovskite | Mg2(CO3)(OH)2·0.5(H2O) |
| 5.200(17.04) | 200 | 3.120(28.59) | 80 | 3.220(27.68) | 60 | Spessartine | Mn++3Al2(SiO4)3 |
| 5.200(17.04) | 200 | 6.180(14.32) | 100 | 7.600(11.63) | 60 | Tachyhydrite | CaMg2Cl6·12(H2O) |
| 5.202(17.03) | 200 | 3.678(24.18) | 120 | 3.002(29.74) | 32 | Niningerite | (Mg,Fe++,Mn)S |
| 5.202(17.03) | 200 | 4.260(20.83) | 120 | 6.020(14.70) | 100 | Calcioburbankite | Na3(Ca,REE,Sr)3(CO3)5 |
| 5.204(17.02) | 200 | 4.938(17.95) | 50 | 5.462(16.21) | 50 | Eitelite | Na2Mg(CO3)2 |
| 5.204(17.02) | 200 | 3.514(25.32) | 160 | 4.756(18.64) | 160 | Jolliffeite | (Ni,Co)AsSe |
| 5.206(17.02) | 200 | 8.256(10.71) | 160 | 7.422(11.91) | 130 | Wycheproofite | NaAlZr(PO4)2(OH)2·(H2O) |
| 5.208(17.01) | 200 | 3.976(22.34) | 100 | 4.166(21.31) | 50 | Westerveldite | (Fe,Ni,Co)As |
| 5.209(17.01) | 200 | 10.486(8.43) | 90 | 4.544(19.52) | 80 | Blatterite | (Mn++,Mg)35Sb3(Mn+++,Fe+++)9(BO3)16O32 |
| 5.212(17.00) | 200 | 4.880(18.16) | 160 | 4.766(18.60) | 150 | Acanthite | Ag2S |
| 5.212(17.00) | 200 | 4.140(21.45) | 140 | 7.016(12.61) | 120 | Mckinstryite | (Ag,Cu)2S |
| 5.212(17.00) | 200 | 5.912(14.97) | 162 | 5.918(14.96) | 144 | Sibirskite | CaHBO3 |
| 5.214(16.99) | 200 | 10.440(8.46) | 100 | 7.400(11.95) | 80 | Petersenite-(Ce) | (Na,Ca)4(Ce,La,Nd)2(CO3)5 |
| 5.216(16.98) | 200 | 3.030(29.45) | 160 | 2.622(34.17) | 50 | Lourenswalsite | (K,Ba)2(Ti,Mg,Ca,Fe)4(Si,Al,Fe)6O14(OH)12 |
| 5.216(16.98) | 200 | 6.104(14.50) | 66 | 3.330(26.75) | 60 | Tegengrenite | (Mg,Mn++)2Sb+++++0.5(Mn+++,Si,Ti)0.5O4 |
| 5.218(16.98) | 200 | 5.896(15.01) | 180 | 3.170(28.13) | 150 | Ardennite-(V) | Mn++4[Al4(Mg,Al,Fe+++,Mn+++)2][Si5(V,Si)]O22(OH)6 |
| 5.220(16.97) | 200 | 6.020(14.70) | 120 | 3.174(28.09) | 100 | Lavrentievite | Hg3S2(Cl,Br)2 |
| 5.220(16.97) | 200 | 5.560(15.93) | 200 | 7.560(11.70) | 200 | Hanksite | KNa22(SO4)9(CO3)2Cl |
| 5.220(16.97) | 200 | 5.760(15.37) | 200 | 8.300(10.65) | 150 | Tangeite | CaCu(VO4)(OH) |
| 5.220(16.97) | 200 | 4.660(19.03) | 180 | 3.276(27.20) | 160 | Lollingite | FeAs2 |
| 5.220(16.97) | 200 | 3.232(27.58) | 180 | 3.682(24.15) | 180 | Nickelskutterudite | (Ni,Co)As3-x |
| 5.220(16.97) | 200 | 6.500(13.61) | 200 | 8.160(10.83) | 200 | Thorosteenstrupine | (Ca,Th,Mn)3Si4O11F·6(H2O) |
| 5.220(16.97) | 200 | 3.680(24.16) | 180 | 4.260(20.83) | 160 | Harkerite | Ca24Mg8Al2(SiO4)8(BO3)6(CO3)10·2(H2O) |
| 5.220(16.97) | 200 | 6.280(14.09) | 80 | 4.220(21.03) | 60 | Chlorocalcite | KCaCl3 |
| 5.220(16.97) | 200 | 4.140(21.45) | 160 | 6.660(13.28) | 160 | Stromeyerite | AgCuS |
| 5.224(16.96) | 200 | 3.694(24.07) | 100 | 3.018(29.57) | 40 | Alabandite | MnS |
| 5.226(16.95) | 200 | 11.410(7.74) | 200 | 6.096(14.52) | 180 | Potassiccarpholite | (K,Na,[ ])(Li,Mn++)2Al)4Si4O12(OH)4(F,OH)4 |
| 5.228(16.95) | 200 | 5.680(15.59) | 180 | 8.040(11.00) | 160 | Aminoffite | Ca3Be2Si3O10(OH)2 |
| 5.232(16.93) | 200 | 5.530(16.01) | 170 | 4.828(18.36) | 98 | Hawthorneite | Ba[Ti3Cr4Fe4Mg]O19 |
| 5.232(16.93) | 200 | 3.272(27.23) | 130 | 7.018(12.60) | 122 | Akimotoite | (Mg,Fe)SiO3 |
| 5.238(16.91) | 200 | 8.520(10.37) | 160 | 6.720(13.16) | 140 | Plumbonacrite | Pb10(CO3)6O(OH)6 |
| 5.240(16.91) | 200 | 5.820(15.21) | 200 | 7.760(11.39) | 120 | Kleinite | Hg2N(Cl,SO4)·n(H2O) |
| 5.240(16.91) | 200 | 4.140(21.45) | 180 | 6.080(14.56) | 180 | Vanadiumdravite | NaMg3V6(Si6O18)(BO3)3(OH)4 |
| 5.240(16.91) | 200 | 19.460(4.54) | 160 | 6.520(13.57) | 80 | Aspidolite | NaMg3AlSi3O10(OH)2 |
| 5.240(16.91) | 200 | 6.080(14.56) | 150 | 7.160(12.35) | 150 | Chromdravite | NaMg3(Cr,Fe+++)6(BO3)3Si6O18(OH)4 |
| 5.240(16.91) | 200 | 6.060(14.61) | 120 | 4.780(18.55) | 80 | Coparsite | Cu4O2[(As,V)O4]Cl |
| 5.242(16.90) | 200 | 4.780(18.55) | 140 | 3.534(25.18) | 120 | Willyamite | (Co,Ni)SbS |
| 5.244(16.89) | 200 | 3.750(23.71) | 120 | 3.918(22.68) | 120 | Danielsite | (Cu,Ag)14HgS8 |
| 5.246(16.89) | 200 | 6.072(14.58) | 180 | 4.286(20.71) | 160 | Remondite-(La) | Na3(La,Ce,Ca)3(CO3)5 |
| 5.246(16.89) | 200 | 6.580(13.45) | 180 | 7.220(12.25) | 180 | Hydrocerussite | Pb3(CO3)2(OH)2 |
| 5.248(16.88) | 200 | 3.100(28.77) | 160 | 5.452(16.24) | 140 | Lawsonite | CaAl2Si2O7(OH)2·(H2O) |
| 5.248(16.88) | 200 | 5.604(15.80) | 190 | 5.224(16.96) | 180 | Lindqvistite | Pb2(Mn++,Mg)Fe+++16027 |
| 5.250(16.87) | 200 | 5.358(16.53) | 180 | 7.468(11.84) | 180 | Brianite | Na2CaMg(PO4)2 |
| 5.252(16.87) | 200 | 6.302(14.04) | 180 | 7.538(11.73) | 180 | Nickelaustinite | Ca(Ni,Zn)(AsO4)(OH) |
| 5.252(16.87) | 200 | 6.040(14.65) | 172 | 6.400(13.83) | 134 | Panasqueiraite | CaMg(PO4)(OH,F) |
| 5.256(16.85) | 200 | 9.800(9.02) | 148 | 3.854(23.06) | 84 | Portlandite | Ca(OH)2 |
| 5.256(16.85) | 200 | 5.782(15.31) | 160 | 3.890(22.84) | 94 | Tuite | Ca3(PO4)2 |