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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 |
| 5.186(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 | 5.006(17.70) | 180 | 3.816(23.29) | 160 | Costibite | CoSbS |
| 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 | 6.362(13.91) | 144 | 3.876(22.93) | 128 | Seifertite | SiO2 |
| 5.196(17.05) | 200 | 5.732(15.45) | 180 | 10.720(8.24) | 160 | Nabaphite | NaBaPO4·9(H2O) |
| 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 | 5.782(15.31) | 140 | 8.674(10.19) | 120 | Frankhawthorneite | Cu2Te++++++O4(OH)2 |
| 5.196(17.05) | 200 | 8.342(10.60) | 140 | 6.698(13.21) | 120 | Chantalite | CaAl2SiO4(OH)4 |
| 5.200(17.04) | 200 | 4.886(18.14) | 120 | 14.580(6.06) | 100 | Dioptase | CuSiO2(OH)2 |
| 5.200(17.04) | 200 | 6.180(14.32) | 100 | 7.600(11.63) | 60 | Tachyhydrite | CaMg2Cl6·12(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 | 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 | 4.340(20.45) | 180 | 12.200(7.24) | 140 | Pokrovskite | Mg2(CO3)(OH)2·0.5(H2O) |
| 5.202(17.03) | 200 | 4.260(20.83) | 120 | 6.020(14.70) | 100 | Calcioburbankite | Na3(Ca,REE,Sr)3(CO3)5 |
| 5.202(17.03) | 200 | 3.678(24.18) | 120 | 3.002(29.74) | 32 | Niningerite | (Mg,Fe++,Mn)S |
| 5.204(17.02) | 200 | 3.514(25.32) | 160 | 4.756(18.64) | 160 | Jolliffeite | (Ni,Co)AsSe |
| 5.204(17.02) | 200 | 4.938(17.95) | 50 | 5.462(16.21) | 50 | Eitelite | Na2Mg(CO3)2 |
| 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 | 4.140(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 |
| 5.212(17.00) | 200 | 4.880(18.16) | 160 | 4.766(18.60) | 150 | Acanthite | Ag2S |
| 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 | 4.140(21.45) | 160 | 6.660(13.28) | 160 | Stromeyerite | AgCuS |
| 5.220(16.97) | 200 | 4.660(19.03) | 180 | 3.276(27.20) | 160 | Lollingite | FeAs2 |
| 5.220(16.97) | 200 | 6.280(14.09) | 80 | 4.220(21.03) | 60 | Chlorocalcite | KCaCl3 |
| 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 | 6.500(13.61) | 200 | 8.160(10.83) | 200 | Thorosteenstrupine | (Ca,Th,Mn)3Si4O11F·6(H2O) |
| 5.220(16.97) | 200 | 5.760(15.37) | 200 | 8.300(10.65) | 150 | Tangeite | CaCu(VO4)(OH) |
| 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 | 5.560(15.93) | 200 | 7.560(11.70) | 200 | Hanksite | KNa22(SO4)9(CO3)2Cl |
| 5.220(16.97) | 200 | 3.232(27.58) | 180 | 3.682(24.15) | 180 | Nickelskutterudite | (Ni,Co)As3-x |
| 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 | 19.460(4.54) | 160 | 6.520(13.57) | 80 | Aspidolite | NaMg3AlSi3O10(OH)2 |
| 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 | 6.080(14.56) | 150 | 7.160(12.35) | 150 | Chromdravite | NaMg3(Cr,Fe+++)6(BO3)3Si6O18(OH)4 |
| 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 | 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 | 6.580(13.45) | 180 | 7.220(12.25) | 180 | Hydrocerussite | Pb3(CO3)2(OH)2 |
| 5.246(16.89) | 200 | 6.072(14.58) | 180 | 4.286(20.71) | 160 | Remondite-(La) | Na3(La,Ce,Ca)3(CO3)5 |
| 5.248(16.88) | 200 | 5.604(15.80) | 190 | 5.224(16.96) | 180 | Lindqvistite | Pb2(Mn++,Mg)Fe+++16027 |
| 5.248(16.88) | 200 | 3.100(28.77) | 160 | 5.452(16.24) | 140 | Lawsonite | CaAl2Si2O7(OH)2·(H2O) |
| 5.250(16.87) | 200 | 5.358(16.53) | 180 | 7.468(11.84) | 180 | Brianite | Na2CaMg(PO4)2 |
| 5.252(16.87) | 200 | 6.040(14.65) | 172 | 6.400(13.83) | 134 | Panasqueiraite | CaMg(PO4)(OH,F) |
| 5.252(16.87) | 200 | 6.302(14.04) | 180 | 7.538(11.73) | 180 | Nickelaustinite | Ca(Ni,Zn)(AsO4)(OH) |
| 5.256(16.85) | 200 | 5.782(15.31) | 160 | 3.890(22.84) | 94 | Tuite | Ca3(PO4)2 |
| 5.256(16.85) | 200 | 9.800(9.02) | 148 | 3.854(23.06) | 84 | Portlandite | Ca(OH)2 |
| 5.258(16.85) | 200 | 5.576(15.88) | 180 | 3.442(25.86) | 140 | IMA2009-011 | Ba3Na(Fe++,Mn)8Ti4(Si2O7)4O4(OH,F)7 |
| 5.260(16.84) | 200 | 8.100(10.91) | 180 | 13.260(6.66) | 180 | Povondraite | (Na,K)(Fe+++,Fe++)3(Fe,Mg,Al)6(BO3)3Si6O18(OH)4 |
| 5.260(16.84) | 200 | 3.244(27.47) | 180 | 5.560(15.93) | 180 | Yimengite | K(Cr,Ti,Fe,Mg)12O19 |
| 5.260(16.84) | 200 | 7.460(11.85) | 180 | 10.580(8.35) | 160 | Spertiniite | Cu(OH)2 |
| 5.260(16.84) | 200 | 7.360(12.01) | 200 | 7.600(11.63) | 180 | Loseyite | (Mn,Zn)7(CO3)2(OH)10 |
| 5.260(16.84) | 200 | 6.240(14.18) | 200 | 7.240(12.21) | 200 | Garavellite | FeSbBiS4 |
| 5.260(16.84) | 200 | 3.780(23.52) | 120 | 5.640(15.70) | 120 | Hellandite-(Y) | (Ca,REE)4(Y,Ce)2(Al,[ ])2[Si4B4O22](OH)2 |
| 5.260(16.84) | 200 | 6.460(13.70) | 166 | 9.120(9.69) | 114 | IMA2009-020 | Li4Na12(Y,Na,Ca,REE)12(PO4)12(CO3)4(F,OH)8 |
| 5.260(16.84) | 200 | 3.706(23.99) | 140 | 6.660(13.28) | 120 | Imandrite | Na12Ca3Fe+++2Si12O36 |
| 5.260(16.84) | 200 | 6.040(14.65) | 200 | 6.380(13.87) | 200 | Isokite | CaMg(PO4)F |
| 5.260(16.84) | 200 | 5.540(15.98) | 200 | 3.240(27.51) | 140 | Magnetoplumbite | Pb(Fe+++,Mn+++)12O19 |
| 5.260(16.84) | 200 | 9.620(9.19) | 200 | 11.700(7.55) | 180 | Libethenite | Cu2(PO4)(OH) |
| 5.262(16.84) | 200 | 5.598(15.82) | 160 | 2.956(30.21) | 140 | Batiferrite | Ba(Ti2Fe+++8Fe++2)O19 |
| 5.262(16.84) | 200 | 3.932(22.59) | 180 | 3.540(25.14) | 160 | Langisite | (Co,Ni)As |
| 5.268(16.82) | 200 | 5.668(15.62) | 190 | 6.972(12.69) | 160 | Willemite | Zn2SiO4 |
| 5.270(16.81) | 200 | 7.930(11.15) | 200 | 7.588(11.65) | 180 | Lithiophosphate | Li3PO4 |
| 5.274(16.80) | 200 | 4.344(20.43) | 180 | 6.260(14.14) | 140 | Oxykinoshitalite | (Ba,K)(Mg,Fe++,Ti)3(Si,Al)4O10O2 |
| 5.274(16.80) | 200 | 5.602(15.81) | 200 | 6.342(13.95) | 200 | Austinite | CaZn(AsO4)(OH) |
| 5.278(16.78) | 200 | 6.082(14.55) | 160 | 10.560(8.37) | 140 | Burbankite | (Na,Ca)3(Sr,Ba,Ce)3(CO3)5 |
| 5.278(16.78) | 200 | 3.256(27.37) | 140 | 5.582(15.86) | 140 | Parsettensite | (K,Na,Ca)(Mn,Al)7Si8O20(OH)8·2(H2O) (?) |
| 5.278(16.78) | 200 | 6.060(14.61) | 160 | 4.236(20.95) | 120 | Kornerupine | (Mg,Fe++)4Al6(SiO4,BO4)5(O,OH)2 |
| 5.280(16.78) | 200 | 5.878(15.06) | 200 | 22.800(3.87) | 200 | Raite | Na4Mn++4Si8(O,OH)24·9(H2O) |
| 5.280(16.78) | 200 | 7.020(12.60) | 200 | 5.140(17.24) | 100 | Kupletskite | K2Na(Mn,Fe++)7(Ti,Nb)2Si8O26(OH)4F |
| 5.280(16.78) | 200 | 6.620(13.36) | 200 | 10.560(8.37) | 200 | Iraqite-(La) | K(La,Ce,Th)2(Ca,Na)4(Si,Al)16O40 |
| 5.280(16.78) | 200 | 5.420(16.34) | 190 | 10.840(8.15) | 140 | Mitscherlichite | K2CuCl4·2(H2O) |
| 5.282(16.77) | 200 | 5.590(15.84) | 180 | 3.268(27.27) | 94 | Haggertyite | Ba[Fe++6Ti5Mg]O19 |
| 5.284(16.76) | 200 | 7.420(11.92) | 140 | 6.220(14.23) | 100 | Chlorophoenicite | (Mn,Mg)3Zn2(AsO4)(OH,O)6 |
| 5.286(16.76) | 200 | 4.744(18.69) | 160 | 2.840(31.47) | 140 | Urvantsevite | Pd(Bi,Pb)2 |
| 5.288(16.75) | 200 | 8.620(10.25) | 200 | 6.760(13.09) | 160 | Montroseite | (V+++,Fe+++,V++++)O(OH) |
| 5.288(16.75) | 200 | 7.220(12.25) | 180 | 7.520(11.76) | 180 | Tocornalite | (Ag,Hg)I (?) |
| 5.290(16.75) | 200 | 7.460(11.85) | 160 | 10.300(8.58) | 120 | Chukanovite | Fe2(CO3)(OH)2 |
| 5.294(16.73) | 200 | 3.694(24.07) | 160 | 5.200(17.04) | 160 | Oosterboschite | (Pd,Cu)7Se3 |
| 5.294(16.73) | 200 | 6.142(14.41) | 160 | 9.784(9.03) | 110 | Trona | Na3(CO3)(HCO3)·2(H2O) |
| 5.296(16.73) | 200 | 5.938(14.91) | 140 | 4.838(18.32) | 120 | Peterbaylissite | Hg+3(CO3)(OH)·2(H2O) |
| 5.298(16.72) | 200 | 6.108(14.49) | 90 | 6.098(14.51) | 80 | Nacaphite | Na(Na,Ca)2(PO4)F |
| 5.298(16.72) | 200 | 5.574(15.89) | 200 | 6.140(14.41) | 180 | Hatrurite | Ca3SiO5 |
| 5.300(16.71) | 200 | 6.120(14.46) | 120 | 6.140(14.41) | 120 | Arzakite | Hg3S2(Br,Cl)2 |
| 5.300(16.71) | 200 | 3.906(22.75) | 180 | 3.132(28.47) | 120 | Xieite | FeCr2O4 |
| 5.300(16.71) | 200 | 5.560(15.93) | 100 | 14.380(6.14) | 100 | Brownmillerite | Ca2(Al,Fe+++)2O5 |
| 5.300(16.71) | 200 | 4.320(20.54) | 180 | 5.000(17.72) | 120 | Borishanskiite | Pd1+x(As,Pb)2, x = 0-0.2 |