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Minerals Arranged by X-Ray Powder Diffraction
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.
|
Selected X-Ray λ |
Change X-Ray λ |
D1 Å |
D2 Å |
D3 Å |
Tolerance % |
Elements |
|---|
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 2.659(33.68) | 100 | 1.629(56.44) | 100 | 5.300(16.71) | 100 | Murdochite | PbCu6O8-x(Cl,Br)2x |
| 2.660(33.67) | 100 | 2.560(35.02) | 100 | 2.230(40.41) | 60 | Naumannite | Ag2Se |
| 2.660(33.67) | 100 | 4.120(21.55) | 100 | 3.140(28.40) | 100 | Garronite | Na2Ca5Al12Si20O64•27(H2O) |
| 2.660(33.67) | 100 | 2.410(37.28) | 40 | 1.780(51.28) | 40 | Ullmannite | NiSbS |
| 2.660(33.67) | 100 | 3.320(26.83) | 100 | 2.570(34.88) | 80 | Bradleyite | Na3Mg(PO4)(CO3) |
| 2.660(33.67) | 100 | 3.140(28.40) | 100 | 4.120(21.55) | 100 | Garronite | Na2Ca5Al12Si20O64•27(H2O) |
| 2.660(33.67) | 100 | 3.080(28.97) | 62 | 2.190(41.19) | 55 | Khanneshite | (NaCa)3(Ba,Sr,Ce,Ca)3(CO3)5 |
| 2.660(33.67) | 100 | 2.610(34.33) | 75 | 3.290(27.08) | 40 | Gregoryite | (Na2,K2,Ca)CO3 |
| 2.660(33.67) | 100 | 1.961(46.26) | 90 | 1.811(50.34) | 80 | Nickeline | NiAs |
| 2.660(33.67) | 100 | 1.780(51.28) | 40 | 2.410(37.28) | 40 | Ullmannite | NiSbS |
| 2.660(33.67) | 100 | 2.800(31.94) | 70 | 1.940(46.79) | 40 | Nagelschmidtite | Ca7(SiO4)3(PO4)2 |
| 2.662(33.64) | 100 | 2.836(31.52) | 90 | 1.572(58.68) | 50 | Tomichite | (V,Fe)4Ti3AsO13(OH) |
| 2.662(33.64) | 100 | 4.386(20.23) | 100 | 4.733(18.73) | 100 | Flinkite | Mn++2Mn+++(AsO4)(OH)4 |
| 2.662(33.64) | 100 | 2.677(33.45) | 100 | 2.418(37.15) | 95 | Arsenopyrite | FeAsS |
| 2.662(33.64) | 100 | 4.733(18.73) | 100 | 4.386(20.23) | 100 | Flinkite | Mn++2Mn+++(AsO4)(OH)4 |
| 2.662(33.64) | 100 | 2.290(39.31) | 80 | 2.035(44.48) | 80 | Fischesserite | Ag3AuSe2 |
| 2.662(33.64) | 100 | 2.035(44.48) | 80 | 2.290(39.31) | 80 | Fischesserite | Ag3AuSe2 |
| 2.662(33.64) | 100 | 1.845(49.35) | 70 | 1.652(55.59) | 60 | Manganarsite | Mn++3As+++204(OH)4 |
| 2.663(33.63) | 100 | 3.180(28.04) | 80 | 1.687(54.34) | 80 | Zenzenite | Pb3(Fe+++,Mn+++)4Mn++++3O15 |
| 2.663(33.63) | 100 | 1.687(54.34) | 80 | 3.180(28.04) | 80 | Zenzenite | Pb3(Fe+++,Mn+++)4Mn++++3O15 |
| 2.663(33.63) | 100 | 2.730(32.78) | 100 | 2.259(39.87) | 80 | Bredigite | Ca7Mg(SiO4)4 |
| 2.664(33.61) | 100 | 2.585(34.67) | 70 | 5.350(16.56) | 70 | Hulsite | (Fe++,Mg)2(Fe+++,Sn)O2(BO3) |
| 2.664(33.61) | 100 | 3.637(24.45) | 60 | 3.762(23.63) | 60 | Capgaronnite | HgAg(Cl,Br,I)S |
| 2.664(33.61) | 100 | 5.350(16.56) | 70 | 2.585(34.67) | 70 | Hulsite | (Fe++,Mg)2(Fe+++,Sn)O2(BO3) |
| 2.664(33.61) | 100 | 3.762(23.63) | 60 | 3.637(24.45) | 60 | Capgaronnite | HgAg(Cl,Br,I)S |
| 2.664(33.61) | 100 | 2.129(42.42) | 85 | 2.122(42.57) | 16 | Nanpingite | Cs(Al,Mg,Fe++,Li)2(Si3Al)O10(OH,F)2 |
| 2.665(33.60) | 100 | 2.911(30.69) | 100 | 1.560(59.18) | 73 | IMA2009-010 | [Ba6(PO4)2(CO3)][Fe++7(OH)4Fe+++2O2(SiO3)8] |
| 2.665(33.60) | 100 | 1.560(59.18) | 100 | 3.629(24.51) | 73 | IMA2009-010 | [Ba6(PO4)2(CO3)][Fe++7(OH)4Fe+++2O2(SiO3)8] |
| 2.666(33.59) | 100 | 3.057(29.19) | 95 | 6.320(14.00) | 95 | Oxammite | (NH4)2(C2O4)•(H2O) |
| 2.666(33.59) | 100 | 3.637(24.45) | 40 | 2.586(34.66) | 40 | Monticellite | CaMgSiO4 |
| 2.666(33.59) | 100 | 6.320(14.00) | 95 | 3.057(29.19) | 95 | Oxammite | (NH4)2(C2O4)•(H2O) |
| 2.666(33.59) | 100 | 2.586(34.66) | 40 | 3.637(24.45) | 40 | Monticellite | CaMgSiO4 |
| 2.666(33.59) | 100 | 1.540(60.02) | 50 | 2.901(30.80) | 40 | Rondorfite | Ca8Mg(SiO4)4Cl2 |
| 2.666(33.59) | 100 | 4.258(20.84) | 75 | 5.056(17.53) | 66 | Juangodoyite | Na2Cu(CO3)2 |
| 2.667(33.57) | 100 | 1.766(51.72) | 100 | 3.099(28.78) | 100 | Yftisite-(Y) | (Y,Dy,Er)4(Ti,Sn)O(SiO4)2(F,OH)6 |
| 2.669(33.55) | 100 | 2.878(31.05) | 80 | 5.680(15.59) | 70 | Comancheite | Hg13(Cl,Br)8O9 |
| 2.669(33.55) | 100 | 3.910(22.72) | 60 | 1.788(51.04) | 50 | Jarosewichite | Mn++3Mn+++(AsO4)(OH)6 |
| 2.669(33.55) | 100 | 3.214(27.73) | 53 | 5.333(16.61) | 37 | Ellisite | Tl3AsS3 |
| 2.670(33.54) | 100 | 2.230(40.41) | 100 | 2.180(41.38) | 100 | Kotoite | Mg3B2O6 |
| 2.670(33.54) | 100 | 1.886(48.21) | 100 | 7.570(11.68) | 100 | Borcarite | Ca4MgB4O6(OH)6(CO3)2 |
| 2.670(33.54) | 100 | 3.120(28.59) | 100 | 2.700(33.15) | 100 | Harmotome | (Ba,Na,K)1-2(Si,Al)8O16•6(H2O) |
| 2.670(33.54) | 100 | 1.540(60.02) | 100 | 15.400(5.73) | 100 | Sauconite | Na0,3Zn3(Si,Al)4O10(OH)2•4(H2O) |
| 2.670(33.54) | 100 | 2.420(37.12) | 90 | 8.180(10.81) | 70 | Natrophosphate | Na7(PO4)2F•19(H2O) |
| 2.670(33.54) | 100 | 2.640(33.93) | 90 | 6.710(13.18) | 60 | Natrofairchildite | Na2Ca(CO3)2 |
| 2.670(33.54) | 100 | 2.700(33.15) | 100 | 3.120(28.59) | 100 | Harmotome | (Ba,Na,K)1-2(Si,Al)8O16•6(H2O) |
| 2.670(33.54) | 100 | 3.250(27.42) | 60 | 3.120(28.59) | 50 | Ilimaussite-(Ce) | (Ba,Na)10K3Na4.5Ce5(Nb,Ti)6[Si12O36][Si9O18(O,OH)24]O6 |
| 2.670(33.54) | 100 | 2.520(35.60) | 100 | 2.980(29.96) | 100 | Hydrohalite | NaCl•2(H2O) |
| 2.671(33.52) | 100 | 1.890(48.10) | 63 | 3.087(28.90) | 29 | Carobbiite | KF |
| 2.673(33.50) | 100 | 2.960(30.17) | 100 | 4.810(18.43) | 90 | Clinotyrolite | Ca2Cu9[(As,S)O4]4(OH)10•10(H2O) |
| 2.674(33.48) | 100 | 2.693(33.24) | 100 | 6.150(14.39) | 60 | Ferrowyllieite | (Na,Ca,Mn)(Fe++,Mn)(Fe++,Fe+++,Mg)Al(PO4)3 |
| 2.674(33.48) | 100 | 4.187(21.20) | 76 | 2.459(36.51) | 40 | Tychite | Na6Mg2(CO3)4(SO4) |
| 2.674(33.48) | 100 | 3.773(23.56) | 90 | 8.036(11.00) | 85 | Abenakiite-(Ce) | Na26REE6(SiO3)6(PO4)6(CO3)6(S++++O2)O |
| 2.674(33.48) | 100 | 2.693(33.24) | 100 | 6.150(14.39) | 60 | Wyllieite | (Na,Ca,Mn++)(Mn++,Fe++)(Fe++,Fe+++,Mg)Al(PO4)3 |
| 2.674(33.48) | 100 | 2.693(33.24) | 100 | 6.150(14.39) | 60 | Rosemaryite | (Na,Ca,Mn++)(Mn++,Fe++)(Fe+++,Fe++,Mg)Al(PO4)3 |
| 2.675(33.47) | 100 | 2.883(30.99) | 90 | 3.960(22.43) | 70 | Imhofite | Tl6CuAs16S40 |
| 2.675(33.47) | 100 | 3.002(29.74) | 66 | 8.110(10.90) | 56 | Fluoro-sodic-pedrizite | NaLi2(Mg2Al2Li)S5Si8O22F2 |
| 2.675(33.47) | 100 | 7.130(12.40) | 80 | 3.564(24.96) | 60 | Pyrosmalite-(Fe) | (Fe++,Mn)8Si6O15(OH,Cl)10 |
| 2.676(33.46) | 100 | 7.381(11.98) | 100 | 3.690(24.10) | 100 | Srebrodolskite | Ca2Fe+++2O5 |
| 2.676(33.46) | 100 | 3.690(24.10) | 100 | 7.381(11.98) | 100 | Srebrodolskite | Ca2Fe+++2O5 |
| 2.676(33.46) | 100 | 9.800(9.02) | 60 | 3.230(27.59) | 60 | Johninnesite | Na2Mg4Mn++12(AsO4)2(Si12O35)(OH)6 |
| 2.676(33.46) | 100 | 3.230(27.59) | 60 | 9.800(9.02) | 60 | Johninnesite | Na2Mg4Mn++12(AsO4)2(Si12O35)(OH)6 |
| 2.676(33.46) | 2.895(30.86) | 3.316(26.86) | Berdesinskiite | V+++2TiO5 | |||
| 2.676(33.46) | 100 | 2.630(34.06) | 64 | 1.920(47.30) | 36 | Jagueite | Cu2Pd3Se4 |
| 2.677(33.45) | 100 | 2.693(33.24) | 75 | 3.448(25.82) | 65 | Ferrorosemaryite | [ ]NaFe++Fe+++Al(PO4)3 |
| 2.677(33.45) | 100 | 2.662(33.64) | 100 | 2.418(37.15) | 95 | Arsenopyrite | FeAsS |
| 2.680(33.41) | 100 | 3.310(26.91) | 85 | 4.260(20.83) | 85 | Itoigawaite | SrAl2Si2O7(OH)2•(H2O) |
| 2.680(33.41) | 100 | 4.260(20.83) | 85 | 3.310(26.91) | 85 | Itoigawaite | SrAl2Si2O7(OH)2•(H2O) |
| 2.680(33.41) | 100 | 4.760(18.63) | 81 | 2.656(33.72) | 50 | Reppiaite | Mn++5[(V,As)O4]2(OH)4 |
| 2.680(33.41) | 100 | 4.890(18.13) | 100 | 2.450(36.65) | 50 | Mayenite | Ca12Al14O33 |
| 2.680(33.41) | 100 | 2.450(36.65) | 100 | 1.806(50.49) | 90 | Penroseite | (Ni,Co,Cu)Se2 |
| 2.680(33.41) | 100 | 2.080(43.47) | 40 | 5.900(15.00) | 32 | Molysite | Fe+++Cl3 |
| 2.680(33.41) | 100 | 4.180(21.24) | 90 | 2.470(36.34) | 80 | Ferrotychite | Na6Fe++2(SO4)(CO3)4 |
| 2.680(33.41) | 100 | 2.900(30.81) | 100 | 2.690(33.28) | 70 | Epidote | Ca2(Fe+++,Al)3(SiO4)3(OH) = Ca2(Fe,Al)Al2(SiO4)(Si2O7)O(OH) |
| 2.681(33.39) | 100 | 2.846(31.41) | 80 | 1.583(58.23) | 50 | Graeserite | (Fe+++,Ti)4Ti3AsO13(OH) |
| 2.684(33.36) | 100 | 2.999(29.77) | 70 | 1.603(57.44) | 60 | Uvarovite | Ca3Cr2(SiO4)3 |
| 2.685(33.34) | 100 | 2.512(35.71) | 90 | 3.472(25.64) | 90 | Qingheiite | Na2(Mn++,Mg,Fe++)(Al,Fe+++)(PO4)3 |
| 2.685(33.34) | 100 | 3.472(25.64) | 90 | 2.512(35.71) | 90 | Qingheiite | Na2(Mn++,Mg,Fe++)(Al,Fe+++)(PO4)3 |
| 2.686(33.33) | 100 | 2.578(34.77) | 100 | 1.435(64.93) | 90 | Fluorocannilloite | CaCa2(Mg4Al)Si5Al3O22F2 |
| 2.686(33.33) | 100 | 2.593(34.56) | 75 | 3.420(26.03) | 60 | Hagendorfite | NaCaMn(Fe++,Fe+++,Mg)2(PO4)3 |
| 2.686(33.33) | 100 | 3.003(29.73) | 42 | 2.452(36.62) | 39 | Wadalite | Ca6Al5Si2O16Cl3 |
| 2.687(33.32) | 100 | 2.671(33.52) | 65 | 2.653(33.76) | 47 | Merwinite | Ca3Mg(SiO4)2 |
| 2.687(33.32) | 100 | 3.377(26.37) | 80 | 4.435(2-) | 80 | IMA2009-012 | NaNa2(Mg2Al2Li)Si8O22F2 |
| 2.687(33.32) | 100 | 4.435(2-) | 80 | 3.377(26.37) | 80 | IMA2009-012 | NaNa2(Mg2Al2Li)Si8O22F2 |
| 2.687(33.32) | 100 | 10.650(8.30) | 60 | 3.079(28.98) | 55 | Nyboite | NaNa2(Mg3Al2)Si7AlO22(OH)2 |
| 2.688(33.30) | 100 | 3.005(29.71) | 65 | 1.607(57.28) | 49 | Goldmanite | Ca3(V,Al,Fe+++)2(SiO4)3 |
| 2.688(33.30) | 100 | 2.996(29.80) | 69 | 2.963(30.14) | 48 | Schlegelite | Bi7O4(MoO4)2(AsO4)3 |
| 2.690(33.28) | 100 | 3.038(29.38) | 40 | 3.130(28.49) | 37 | Hillite | Ca2(Zn, Mg)[PO4]2•2(H2O) |
| 2.690(33.28) | 100 | 3.010(29.65) | 70 | 1.610(57.17) | 50 | Yamatoite | (Mn++,Ca)3(V+++,Al)2(SiO4)3 |
| 2.690(33.28) | 100 | 2.870(31.14) | 65 | 4.030(22.04) | 50 | Zoisite | Ca2Al3(SiO4)3(OH) = Ca2AlAl2(SiO4)(Si2O7)O(OH) |
| 2.690(33.28) | 100 | 1.690(54.23) | 60 | 2.510(35.74) | 50 | Hematite | Fe2O3 |
| 2.690(33.28) | 100 | 2.480(36.19) | 100 | 8.000(11.05) | 80 | Northupite | Na3Mg(CO3)2Cl |
| 2.691(33.27) | 100 | 2.860(31.25) | 100 | 2.960(30.17) | 100 | Thomsonite-Sr | (Sr,Ca)2Na[Al5Si5O20]•7(H2O) |
| 2.691(33.27) | 100 | 2.960(30.17) | 100 | 2.860(31.25) | 100 | Thomsonite-Sr | (Sr,Ca)2Na[Al5Si5O20]•7(H2O) |
| 2.691(33.27) | 100 | 8.307(10.64) | 64 | 3.079(28.98) | 58 | Fluoronyboite | NaNa2(Al2Mg3)(Si7Al)O22(F,OH)2 |
| 2.692(33.25) | 100 | 2.790(32.05) | 55 | 2.240(40.23) | 45 | Carbonate-fluorapatite | Ca5(PO4,CO3)3F |
| 2.693(33.24) | 100 | 2.674(33.48) | 100 | 6.150(14.39) | 60 | Ferrowyllieite | (Na,Ca,Mn)(Fe++,Mn)(Fe++,Fe+++,Mg)Al(PO4)3 |
| 2.693(33.24) | 100 | 3.012(29.63) | 100 | 2.372(37.90) | 80 | Staurolite | (Fe++,Mg)2Al9(Si,Al)4O20(O,OH)4 |
| 2.693(33.24) | 100 | 3.110(28.68) | 80 | 8.380(10.55) | 65 | Kaersutite | NaCa2(Mg4Ti)Si6Al2O23(OH)2 |
| 2.693(33.24) | 100 | 2.674(33.48) | 100 | 6.150(14.39) | 60 | Rosemaryite | (Na,Ca,Mn++)(Mn++,Fe++)(Fe+++,Fe++,Mg)Al(PO4)3 |
| 2.693(33.24) | 100 | 2.674(33.48) | 100 | 6.150(14.39) | 60 | Wyllieite | (Na,Ca,Mn++)(Mn++,Fe++)(Fe++,Fe+++,Mg)Al(PO4)3 |