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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.
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 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 | 2.872(31.11) | 100 | 5.511(16.07) | 80 | Gianellaite | Hg4(SO4)N2 |
| 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 | 3.551(25.06) | 40 | 1.702(53.82) | 30 | Sphaerocobaltite | CoCO3 |
| 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 |
| 2.744(32.61) | 100 | 3.887(22.86) | 79 | 1.942(46.74) | 57 | Latrappite | (Ca,Na)(Nb,Ti,Fe)O3 |
| 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 |
| 2.745(32.59) | 100 | 3.887(22.86) | 80 | 1.583(58.23) | 70 | Lafossaite | Tl(Cl,Br) |
| 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 |
| 2.746(32.58) | 100 | 2.209(40.82) | 100 | 2.090(43.25) | 90 | Hsianghualite | Ca3Li2Be3(SiO4)3F2 |
| 2.748(32.56) | 100 | 1.443(64.53) | 35 | 1.475(62.96) | 33 | Paranatisite | Na2[TiO(SiO4)] |
| 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 |
| 2.749(32.54) | 100 | 2.814(31.77) | 94 | 2.391(37.59) | 85 | Fetiasite | (Fe++,Fe+++,Ti++++)3O2(As+++2O5) |
| 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 | 3.550(25.06) | 50 | 1.703(53.78) | 45 | Smithsonite | ZnCO3 |
| 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 | 3.600(24.71) | 50 | 2.970(30.06) | 50 | Leucophanite | (Na,Ca)2BeSi2(O,OH,F)7 |
| 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 | 1.710(53.55) | 70 | 1.650(55.66) | 70 | Berzeliite | (Ca,Na)3(Mg,Mn)2(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 | 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 | 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 | 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 | 2.460(36.49) | 60 | 1.660(55.29) | 55 | Cattierite | CoS2 |
| 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 |
| 2.750(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 | 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 | 3.250(27.42) | 80 | 4.060(21.87) | 50 | Johillerite | Na(Mg,Zn)3Cu(AsO4)3 |
| 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 | 2.970(30.06) | 50 | 3.600(24.71) | 50 | Leucophanite | (Na,Ca)2BeSi2(O,OH,F)7 |
| 2.752(32.51) | 100 | 3.520(25.28) | 90 | 2.947(30.30) | 90 | Sartorite | PbAs2S4 |
| 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 | 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 | 2.910(30.70) | 80 | 3.015(29.60) | 80 | Wicksite | NaCa2(Fe++,Mn++)4MgFe+++(PO4)6•2(H2O) |
| 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 | 3.694(24.07) | 100 | 2.960(30.17) | 100 | Chladniite | Na2Ca(Mg,Fe++)7(PO4)6 |
| 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 | 3.230(27.59) | 70 | 2.500(35.89) | 60 | Clinohedrite | CaZnSiO4•(H2O) |
| 2.760(32.41) | 100 | 2.770(32.29) | 100 | 1.952(46.48) | 50 | Tausonite | SrTiO3 |
| 2.760(32.41) | 100 | 2.950(30.27) | 70 | 1.630(56.40) | 65 | Khibinskite | K2ZrSi2O7 |
| 2.760(32.41) | 100 | 2.280(39.49) | 80 | 2.380(37.77) | 80 | Tucekite | Ni9Sb2S8 |
| 2.760(32.41) | 100 | 3.520(25.28) | 80 | 3.790(23.45) | 70 | Schairerite | Na21(SO4)7F6Cl |
| 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 | 3.900(22.78) | 85 | 1.950(46.53) | 70 | Lueshite | NaNbO3 |
| 2.760(32.41) | 100 | 1.840(49.50) | 80 | 2.700(33.15) | 60 | Nisbite | NiSb2 |
| 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 | 2.380(37.77) | 80 | 2.280(39.49) | 80 | Tucekite | Ni9Sb2S8 |
| 2.763(32.38) | 100 | 2.257(39.91) | 58 | 2.004(45.21) | 58 | Katoite | Ca3Al2(SiO4)3-x(OH)4x x=1.5-3 |
| 2.763(32.38) | 100 | 2.842(31.45) | 100 | 1.982(45.74) | 63 | Olgite | Na(Sr,Ba)PO4 |
| 2.763(32.38) | 100 | 2.390(37.60) | 100 | 3.739(23.78) | 80 | Buckhornite | AuPb2BiTe2S3 |
| 2.763(32.38) | 100 | 1.689(54.27) | 80 | 2.384(37.70) | 70 | Mcalpineite | Cu++3Te++++++O6•(H2O) |
| 2.763(32.38) | 100 | 2.004(45.21) | 58 | 2.257(39.91) | 58 | Katoite | Ca3Al2(SiO4)3-x(OH)4x x=1.5-3 |
| 2.764(32.36) | 100 | 3.700(24.03) | 70 | 3.550(25.06) | 70 | Johnsomervilleite | Na2Ca(Mg,Fe++,Mn)7(PO4)6 |
| 2.764(32.36) | 100 | 2.733(32.74) | 100 | 2.783(32.14) | 100 | Rheniite | ReS2 |
| 2.764(32.36) | 100 | 1.847(49.30) | 90 | 16.100(5.48) | 70 | Minehillite | (K,Na)2-3Ca28(Zn4Al4Si40)O112(OH)16 |
| 2.764(32.36) | 100 | 3.053(29.23) | 95 | 3.556(25.02) | 70 | Stibnite | Sb2S3 |
| 2.764(32.36) | 100 | 3.550(25.06) | 70 | 3.700(24.03) | 70 | Johnsomervilleite | Na2Ca(Mg,Fe++,Mn)7(PO4)6 |
| 2.764(32.36) | 100 | 3.560(24.99) | 40 | 2.229(40.43) | 35 | Trimerite | CaMn2Be3(SiO4)3 |
| 2.764(32.36) | 100 | 6.520(13.57) | 100 | 3.290(27.08) | 80 | Kainosite-(Y) | Ca2(Y,Ce)2Si4O12(CO3)•(H2O) |
| 2.764(32.36) | 100 | 5.466(16.20) | 55 | 2.266(39.75) | 36 | Herbertsmithite | Cu3Zn(OH)6Cl2 |
| 2.765(32.35) | 100 | 1.953(46.46) | 53 | 3.915(22.69) | 35 | Isolueshite | (Na,La,Ca)(Nb,Ti)O3 |
| 2.765(32.35) | 100 | 1.709(53.58) | 70 | 1.485(62.49) | 70 | Gugiaite | Ca2BeSi2O7 |
| 2.765(32.35) | 100 | 1.485(62.49) | 70 | 1.709(53.58) | 70 | Gugiaite | Ca2BeSi2O7 |
| 2.766(32.34) | 100 | 2.902(30.79) | 100 | 3.164(28.18) | 60 | Damaraite | Pb3O2(OH)Cl |
| 2.767(32.33) | 100 | 2.831(31.58) | 100 | 4.620(19.20) | 90 | Clearcreekite | Hg+3(CO3)(OH)•2(H2O) |
| 2.768(32.32) | 100 | 2.372(37.90) | 60 | 2.753(32.50) | 55 | Thermonatrite | Na2CO3•(H2O) |
| 2.768(32.32) | 100 | 2.523(35.55) | 40 | 3.236(27.54) | 39 | Stringhamite | CaCuSiO4•2(H2O) |
| 2.768(32.32) | 100 | 3.479(25.58) | 82 | 5.540(15.98) | 79 | Krasnovite | Ba(Al,Mg)(PO4,CO3)(OH)2•(H2O) |
| 2.768(32.32) | 100 | 2.746(32.58) | 100 | 2.461(36.48) | 80 | Imiterite | Ag2HgS2 |
| 2.768(32.32) | 100 | 2.873(31.10) | 100 | 4.251(20.88) | 100 | Vuonnemite | Na11Nb2TiSi4O12(PO4)2O5F2 |
| 2.768(32.32) | 100 | 4.251(20.88) | 100 | 2.873(31.10) | 100 | Vuonnemite | Na11Nb2TiSi4O12(PO4)2O5F2 |
| 2.768(32.32) | 100 | 2.927(30.52) | 78 | 3.006(29.70) | 67 | Bederite | ([ ],Na)Ca2(Mn++,Mg,Fe++)2(Fe+++,Mg++,Al)2Mn++2(PO4)6•2(H2O) |
| 2.770(32.29) | 100 | 2.760(32.41) | 100 | 1.952(46.48) | 50 | Tausonite | SrTiO3 |
| 2.770(32.29) | 100 | 2.740(32.65) | 100 | 1.870(48.65) | 90 | Ruarsite | RuAsS |
| 2.770(32.29) | 100 | 2.630(34.06) | 100 | 1.620(56.78) | 70 | Magnetoplumbite | Pb(Fe+++,Mn+++)12O19 |
| 2.770(32.29) | 100 | 2.630(34.06) | 50 | 2.390(37.60) | 40 | Petrovskaite | AuAg(S,Se) |
| 2.770(32.29) | 100 | 1.556(59.34) | 80 | 2.970(30.06) | 70 | Froodite | PdBi2 |
| 2.770(32.29) | 100 | 1.960(46.28) | 80 | 1.598(57.64) | 70 | Quadratite | Ag(Cd,Pb)AsS3 |
| 2.770(32.29) | 100 | 2.120(42.61) | 80 | 2.030(44.60) | 70 | Petzite | Ag3AuTe2 |
| 2.770(32.29) | 100 | 3.070(29.06) | 100 | 3.210(27.77) | 80 | Talmessite | Ca2Mg(AsO4)2•2(H2O) |
| 2.770(32.29) | 100 | 1.598(57.64) | 80 | 1.679(54.62) | 70 | Quadratite | Ag(Cd,Pb)AsS3 |
| 2.770(32.29) | 100 | 3.720(23.90) | 76 | 2.370(37.93) | 63 | Eldfellite | NaFe(SO4)2 |
| 2.770(32.29) | 100 | 8.120(10.89) | 90 | 4.050(21.93) | 80 | Keystoneite | Mg0.5[Ni++Fe++(TeO3)3]•4.5(H2O) |
| 2.771(32.28) | 100 | 1.879(48.40) | 26 | 3.520(25.28) | 26 | Arsenic | As |
| 2.771(32.28) | 100 | 2.381(37.75) | 90 | 2.284(39.42) | 80 | Arsenohauchecornite | Ni18Bi3AsS16 |
| 2.771(32.28) | 100 | 3.520(25.28) | 26 | 1.879(48.40) | 26 | Arsenic | As |
| 2.772(32.27) | 100 | 2.735(32.72) | 100 | 2.324(38.71) | 30 | Tillmannsite | (Ag3Hg)(V,As)O4 |