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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 |
| 2.728(32.80) | 100 | 1.672(54.86) | 85 | 1.427(65.34) | 60 | Neltnerite | CaMn+++6SiO12 |
| 2.729(32.79) | 100 | 2.007(45.14) | 45 | 1.510(61.34) | 35 | Kitkaite | NiTeSe |
| 2.729(32.79) | 100 | 2.916(30.63) | 100 | 3.420(26.03) | 55 | Parwelite | (Mn,Mg)5Sb(As,Si)2O12 |
| 2.730(32.78) | 100 | 2.663(33.63) | 100 | 2.259(39.87) | 80 | Bredigite | Ca7Mg(SiO4)4 |
| 2.730(32.78) | 100 | 3.991(22.26) | 70 | 2.223(40.55) | 70 | Brodtkorbite | Cu2HgSe2 |
| 2.730(32.78) | 100 | 3.280(27.16) | 100 | 2.840(31.47) | 100 | Semenovite | (Na,Ca)9(Ce,La)2(Fe++,Mn)(Si,Be)20(O,OH,F)48 |
| 2.730(32.78) | 100 | 1.840(49.50) | 60 | 3.520(25.28) | 40 | Stornesite-(Y) | (Y, Ca)[ ]2Na6(Ca,Na)8(Mg,Fe)43(PO4)36 |
| 2.730(32.78) | 100 | 3.580(24.85) | 100 | 3.300(27.00) | 100 | Vaterite | CaCO3 |
| 2.730(32.78) | 100 | 6.300(14.05) | 80 | 3.070(29.06) | 65 | Alluaudite | NaCaFe++(Mn,Fe++,Fe+++,Mg)2(PO4)3 |
| 2.730(32.78) | 100 | 3.300(27.00) | 100 | 3.580(24.85) | 100 | Vaterite | CaCO3 |
| 2.730(32.78) | 100 | 2.880(31.03) | 90 | 2.590(34.60) | 70 | Cebollite | Ca5Al2(SiO4)3(OH)4 |
| 2.730(32.78) | 100 | 2.840(31.47) | 100 | 3.280(27.16) | 100 | Semenovite | (Na,Ca)9(Ce,La)2(Fe++,Mn)(Si,Be)20(O,OH,F)48 |
| 2.730(32.78) | 100 | 2.530(35.45) | 90 | 1.710(53.55) | 70 | Ecandrewsite | (Zn,Fe++,Mn++)TiO3 |
| 2.730(32.78) | 100 | 2.940(30.38) | 60 | 1.840(49.50) | 40 | Stornesite-(Y) | (Y, Ca)[ ]2Na6(Ca,Na)8(Mg,Fe)43(PO4)36 |
| 2.730(32.78) | 100 | 2.223(40.55) | 70 | 3.991(22.26) | 70 | Brodtkorbite | Cu2HgSe2 |
| 2.732(32.75) | 100 | 2.914(30.66) | 100 | 5.523(16.03) | 80 | Melanotekite | Pb2Fe+++2Si2O9 |
| 2.733(32.74) | 100 | 2.764(32.36) | 100 | 2.783(32.14) | 100 | Rheniite | ReS2 |
| 2.733(32.74) | 100 | 2.783(32.14) | 100 | 2.764(32.36) | 100 | Rheniite | ReS2 |
| 2.735(32.72) | 100 | 3.000(29.76) | 80 | 2.895(30.86) | 80 | Tassieite | (Na,[ ])Ca2(Mg,Fe++,Fe+++)2(Fe+++,Mg)2(Fe++,Mg)2(PO4)6(H2O)2 |
| 2.735(32.72) | 100 | 2.895(30.86) | 80 | 3.000(29.76) | 80 | Tassieite | (Na,[ ])Ca2(Mg,Fe++,Fe+++)2(Fe+++,Mg)2(Fe++,Mg)2(PO4)6(H2O)2 |
| 2.735(32.72) | 100 | 2.772(32.27) | 100 | 2.324(38.71) | 30 | Tillmannsite | (Ag3Hg)(V,As)O4 |
| 2.736(32.70) | 100 | 5.340(16.59) | 65 | 3.690(24.10) | 50 | Artinite | Mg2(CO3)(OH)2•3(H2O) |
| 2.737(32.69) | 100 | 2.874(31.09) | 70 | 4.075(21.79) | 50 | Schreyerite | V+++2Ti3O9 |
| 2.740(32.65) | 100 | 3.400(26.19) | 40 | 2.560(35.02) | 40 | Varulite | NaCaMn(Mn,Fe++,Fe+++)2(PO4)3 |
| 2.740(32.65) | 100 | 2.437(36.85) | 55 | 2.194(41.11) | 55 | Kraisslite | (Mn++,Mg)24Zn3Fe+++(As+++O3)2(As+++++O4)3(SiO4)6(OH)18 |
| 2.740(32.65) | 100 | 3.870(22.96) | 25 | 1.582(58.27) | 25 | Salammoniac | NH4Cl |
| 2.740(32.65) | 100 | 2.900(30.81) | 100 | 2.860(31.25) | 100 | Kentrolite | Pb2Mn+++2Si2O9 |
| 2.740(32.65) | 100 | 2.560(35.02) | 40 | 3.400(26.19) | 40 | Varulite | NaCaMn(Mn,Fe++,Fe+++)2(PO4)3 |
| 2.740(32.65) | 100 | 2.194(41.11) | 55 | 2.437(36.85) | 55 | Kraisslite | (Mn++,Mg)24Zn3Fe+++(As+++O3)2(As+++++O4)3(SiO4)6(OH)18 |
| 2.740(32.65) | 100 | 2.480(36.19) | 90 | 3.270(27.25) | 80 | Proustite | Ag3AsS3 |
| 2.740(32.65) | 100 | 1.582(58.27) | 25 | 3.870(22.96) | 25 | Salammoniac | NH4Cl |
| 2.740(32.65) | 100 | 2.770(32.29) | 100 | 1.870(48.65) | 90 | Ruarsite | RuAsS |
| 2.740(32.65) | 100 | 2.860(31.25) | 80 | 1.680(54.58) | 70 | Mosesite | Hg2N(Cl,SO4,MoO4,CO3)•(H2O) |
| 2.740(32.65) | 100 | 2.860(31.25) | 100 | 2.900(30.81) | 100 | Kentrolite | Pb2Mn+++2Si2O9 |
| 2.740(32.65) | 100 | 3.780(23.52) | 70 | 3.050(29.26) | 60 | Hutchinsonite | (Pb,Tl)2As5S9 |
| 2.740(32.65) | 100 | 7.440(11.89) | 55 | 2.566(34.94) | 53 | Phosinaite-(Ce) | Na13Ca2Ce[Si4O12](PO4)4 |
| 2.740(32.65) | 100 | 1.768(51.66) | 50 | 2.685(33.34) | 45 | Bournonite | PbCuSbS3 |
| 2.741(32.64) | 100 | 1.692(54.16) | 45 | 3.543(25.11) | 36 | Gaspeite | (Ni,Mg,Fe++)CO3 |
| 2.742(32.63) | 100 | 1.956(46.38) | 100 | 2.688(33.30) | 80 | Chrisstanleyite | Ag2Pd3Se4 |
| 2.742(32.63) | 100 | 2.102(42.99) | 45 | 1.700(53.89) | 35 | Magnesite | MgCO3 |
| 2.743(32.62) | 100 | 3.212(27.75) | 70 | 3.722(23.89) | 40 | Yecoraite | Bi5Fe+++3(Te++++O3)(Te++++++O4)2O9•9(H2O) |
| 2.743(32.62) | 100 | 2.872(31.11) | 100 | 5.511(16.07) | 80 | Gianellaite | Hg4(SO4)N2 |
| 2.743(32.62) | 100 | 1.614(57.01) | 56 | 2.757(32.45) | 55 | Holtstamite | Ca3(Al,Mn+++)2(SiO4)2(OH)4 |
| 2.743(32.62) | 100 | 3.551(25.06) | 40 | 1.702(53.82) | 30 | Sphaerocobaltite | CoCO3 |
| 2.744(32.61) | 100 | 3.887(22.86) | 79 | 1.942(46.74) | 57 | Latrappite | (Ca,Na)(Nb,Ti,Fe)O3 |
| 2.744(32.61) | 100 | 3.195(27.90) | 60 | 4.060(21.87) | 50 | Nickenichite | Na0,8Ca0,4(Mg,Fe+++,Al)3Cu0,4(AsO4)3 |
| 2.745(32.59) | 100 | 3.887(22.86) | 80 | 1.583(58.23) | 70 | Lafossaite | Tl(Cl,Br) |
| 2.745(32.59) | 100 | 3.950(22.49) | 60 | 3.120(28.59) | 55 | Bobtraillite | (Na,Ca)13Sr11(Zr,Y,Nb)14Si42B6O132(OH)12•12H2O |
| 2.746(32.58) | 100 | 2.209(40.82) | 100 | 2.090(43.25) | 90 | Hsianghualite | Ca3Li2Be3(SiO4)3F2 |
| 2.746(32.58) | 100 | 1.587(58.07) | 50 | 1.942(46.74) | 40 | Loparite-(Ce) | (Ce,Na,Ca)2(Ti,Nb)2O6 |
| 2.746(32.58) | 100 | 2.768(32.32) | 100 | 2.461(36.48) | 80 | Imiterite | Ag2HgS2 |
| 2.746(32.58) | 100 | 3.430(25.96) | 32 | 13.800(6.40) | 25 | Arctite | Na2Ca4(PO4)3F |
| 2.748(32.56) | 100 | 1.443(64.53) | 35 | 1.475(62.96) | 33 | Paranatisite | Na2[TiO(SiO4)] |
| 2.749(32.54) | 100 | 2.814(31.77) | 94 | 2.391(37.59) | 85 | Fetiasite | (Fe++,Fe+++,Ti++++)3O2(As+++2O5) |
| 2.749(32.54) | 100 | 3.580(24.85) | 100 | 4.800(18.47) | 90 | Edingtonite | BaAl2Si3O10•4(H2O) |
| 2.749(32.54) | 100 | 3.345(26.63) | 90 | 5.570(15.90) | 35 | Lorenzenite | Na2Ti2Si2O9 |
| 2.750(32.53) | 100 | 2.870(31.14) | 80 | 3.120(28.59) | 70 | Babingtonite | Ca2(Fe++,Mn)Fe+++Si5O14(OH) |
| 2.750(32.53) | 100 | 2.280(39.49) | 95 | 2.800(31.94) | 40 | Ellestadite-(Cl) | Ca5(SiO4,PO4,SO4)3(Cl,OH,F) |
| 2.750(32.53) | 100 | 1.871(48.62) | 90 | 1.727(52.98) | 90 | IMA2000-016 | (Ti,Fe,Mg,Mn)1-xTi2O5 |
| 2.750(32.53) | 100 | 2.980(29.96) | 30 | 2.000(45.30) | 30 | Griphite | Ca(Mn,Na,Li)6Fe++Al2(PO4)6(F,OH)2 |
| 2.750(32.53) | 100 | 1.710(53.55) | 70 | 1.650(55.66) | 70 | Berzeliite | (Ca,Na)3(Mg,Mn)2(AsO4)3 |
| 2.750(32.53) | 100 | 4.060(21.87) | 80 | 1.660(55.29) | 50 | Johillerite | Na(Mg,Zn)3Cu(AsO4)3 |
| 2.750(32.53) | 100 | 1.386(67.53) | 100 | 2.880(31.03) | 70 | Olkhonskite | (Cr+++,V+++)2Ti3O9 |
| 2.750(32.53) | 100 | 2.460(36.49) | 60 | 1.660(55.29) | 55 | Cattierite | CoS2 |
| 2.750(32.53) | 100 | 1.650(55.66) | 70 | 1.710(53.55) | 70 | Berzeliite | (Ca,Na)3(Mg,Mn)2(AsO4)3 |
| 2.750(32.53) | 100 | 3.600(24.71) | 80 | 3.390(26.27) | 70 | Rathite | Pb8Pb4-x(Tl2As2)x(Ag2As2)As16S40 |
| 2.750(32.53) | 100 | 3.550(25.06) | 50 | 1.703(53.78) | 45 | Smithsonite | ZnCO3 |
| 2.750(32.53) | 100 | 3.450(25.80) | 100 | 3.000(29.76) | 70 | Marrite | PbAgAsS3 |
| 2.750(32.53) | 100 | 3.340(26.67) | 80 | 2.850(31.36) | 70 | Sarcolite | NaCa6Al4Si6O24F (?) |
| 2.750(32.53) | 100 | 3.320(26.83) | 100 | 3.030(29.45) | 90 | Denisovite | (K,Na)Ca2Si3O8(F,OH) |
| 2.750(32.53) | 100 | 3.250(27.42) | 80 | 4.060(21.87) | 50 | Johillerite | Na(Mg,Zn)3Cu(AsO4)3 |
| 2.750(32.53) | 100 | 2.970(30.06) | 50 | 3.600(24.71) | 50 | Leucophanite | (Na,Ca)2BeSi2(O,OH,F)7 |
| 2.750(32.53) | 100 | 3.600(24.71) | 50 | 2.970(30.06) | 50 | Leucophanite | (Na,Ca)2BeSi2(O,OH,F)7 |
| 2.750(32.53) | 100 | 2.840(31.47) | 95 | 2.280(39.49) | 40 | Ellestadite-(Cl) | Ca5(SiO4,PO4,SO4)3(Cl,OH,F) |
| 2.750(32.53) | 100 | 2.516(35.66) | 80 | 4.370(20.30) | 60 | Henritermierite | Ca3(Mn,Al)2(SiO4)2(OH)4 |
| 2.750(32.53) | 100 | 2.470(36.34) | 90 | 1.820(50.08) | 70 | Alloclasite | (Co,Fe)AsS |
| 2.750(32.53) | 100 | 2.000(45.30) | 30 | 2.980(29.96) | 30 | Griphite | Ca(Mn,Na,Li)6Fe++Al2(PO4)6(F,OH)2 |
| 2.750(32.53) | 100 | 1.727(52.98) | 90 | 1.871(48.62) | 90 | IMA2000-016 | (Ti,Fe,Mg,Mn)1-xTi2O5 |
| 2.752(32.51) | 100 | 2.593(34.56) | 80 | 1.621(56.74) | 60 | Vesuvianite | Ca10Mg2Al4(SiO4)5(Si2O7)2(OH)4 |
| 2.752(32.51) | 100 | 2.947(30.30) | 90 | 3.520(25.28) | 90 | Sartorite | PbAs2S4 |
| 2.752(32.51) | 100 | 3.520(25.28) | 90 | 2.947(30.30) | 90 | Sartorite | PbAs2S4 |
| 2.752(32.51) | 100 | 2.726(32.83) | 98 | 3.198(27.87) | 68 | Dingdaohengite-(Ce) | (Ce,La)4Fe++(Ti,Fe++,Mg,Fe+++)2Ti2Si4O22 |
| 2.753(32.50) | 100 | 3.694(24.07) | 100 | 2.960(30.17) | 100 | Chladniite | Na2Ca(Mg,Fe++)7(PO4)6 |
| 2.753(32.50) | 100 | 3.015(29.60) | 80 | 2.910(30.70) | 80 | Wicksite | NaCa2(Fe++,Mn++)4MgFe+++(PO4)6•2(H2O) |
| 2.753(32.50) | 100 | 2.910(30.70) | 80 | 3.015(29.60) | 80 | Wicksite | NaCa2(Fe++,Mn++)4MgFe+++(PO4)6•2(H2O) |
| 2.753(32.50) | 100 | 2.960(30.17) | 100 | 3.694(24.07) | 100 | Chladniite | Na2Ca(Mg,Fe++)7(PO4)6 |
| 2.754(32.48) | 100 | 2.544(35.25) | 70 | 1.726(53.01) | 55 | Ilmenite | Fe++TiO3 |
| 2.756(32.46) | 100 | 3.320(26.83) | 90 | 3.430(25.96) | 70 | Molybdomenite | PbSeO3 |
| 2.757(32.45) | 100 | 2.717(32.94) | 100 | 4.040(21.98) | 80 | Soucekite | PbCuBi(S,Se)3 |
| 2.759(32.42) | 100 | 2.970(30.06) | 39 | 3.601(24.70) | 37 | Meliphanite | (Ca,Na)2Be[(Si,Al)2O6(F,OH)] |
| 2.760(32.41) | 100 | 3.761(23.64) | 90 | 1.991(45.52) | 70 | IMA2003-019 | Na6Sr12Ba2Zr13Si39B4O123(OH)6 •20(H2O) |
| 2.760(32.41) | 100 | 1.840(49.50) | 80 | 2.700(33.15) | 60 | Nisbite | NiSb2 |
| 2.760(32.41) | 100 | 2.380(37.77) | 80 | 2.280(39.49) | 80 | Tucekite | Ni9Sb2S8 |
| 2.760(32.41) | 100 | 2.710(33.03) | 100 | 3.900(22.78) | 60 | Hematophanite | Pb4Fe+++3O8(OH,Cl) |
| 2.760(32.41) | 100 | 2.770(32.29) | 100 | 1.952(46.48) | 50 | Tausonite | SrTiO3 |
| 2.760(32.41) | 100 | 3.230(27.59) | 70 | 2.500(35.89) | 60 | Clinohedrite | CaZnSiO4•(H2O) |
| 2.760(32.41) | 100 | 2.280(39.49) | 80 | 2.380(37.77) | 80 | Tucekite | Ni9Sb2S8 |
| 2.760(32.41) | 100 | 3.900(22.78) | 85 | 1.950(46.53) | 70 | Lueshite | NaNbO3 |
| 2.760(32.41) | 100 | 2.950(30.27) | 70 | 1.630(56.40) | 65 | Khibinskite | K2ZrSi2O7 |
| 2.760(32.41) | 100 | 3.520(25.28) | 80 | 3.790(23.45) | 70 | Schairerite | Na21(SO4)7F6Cl |