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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 |
| 2.719(32.91) | 100 | 4.110(21.60) | 100 | 1.817(50.17) | 80 | Gmelinite-K | (K,Na,Ca)6(Al7Si17O48)•22(H2O) |
| 2.719(32.91) | 100 | 1.817(50.17) | 100 | 2.852(31.34) | 80 | Gmelinite-K | (K,Na,Ca)6(Al7Si17O48)•22(H2O) |
| 2.720(32.90) | 100 | 1.120(86.90) | 100 | 5.440(16.28) | 100 | Arsenolamprite | As |
| 2.720(32.90) | 100 | 8.900(9.93) | 100 | 3.290(27.08) | 90 | Kolfanite | Ca2Fe+++3O2(AsO4)3•2(H2O) |
| 2.720(32.90) | 100 | 8.480(10.42) | 81 | 2.610(34.33) | 59 | Potassic-ferropargasite | KCa2(Fe++4Al)Si6Al2O22(OH)2 |
| 2.720(32.90) | 100 | 8.420(10.50) | 100 | 3.090(28.87) | 80 | Riebeckite | [ ]Na2(Fe++3Fe+++2)Si8O22(OH)2 |
| 2.720(32.90) | 100 | 8.280(10.68) | 90 | 9.000(9.82) | 90 | Manganocummingtonite | Na(Na,Mn)2(Mg4,Fe+++)5Si8O22(OH)2 |
| 2.720(32.90) | 100 | 3.850(23.08) | 80 | 1.749(52.26) | 70 | Seligmannite | PbCuAsS3 |
| 2.720(32.90) | 100 | 3.790(23.45) | 90 | 1.910(47.57) | 80 | Buchwaldite | NaCaPO4 |
| 2.720(32.90) | 100 | 3.180(28.04) | 80 | 4.480(19.80) | 70 | Rankinite | Ca3Si2O7 |
| 2.720(32.90) | 100 | 1.656(55.44) | 70 | 2.140(42.19) | 50 | Braunite-I | Mn++Mn+++6SiO12 |
| 2.720(32.90) | 100 | 1.656(55.44) | 70 | 2.140(42.19) | 50 | Braunite-II | Mn++Mn+++6SiO12 |
| 2.720(32.90) | 100 | 9.000(9.82) | 90 | 8.280(10.68) | 90 | Manganocummingtonite | Na(Na,Mn)2(Mg4,Fe+++)5Si8O22(OH)2 |
| 2.720(32.90) | 100 | 1.657(55.40) | 90 | 1.421(65.65) | 80 | Bixbyite | (Mn+++,Fe+++)2O3 |
| 2.720(32.90) | 100 | 1.827(49.87) | 90 | 2.450(36.65) | 80 | Glaucodot | (Co,Fe)AsS |
| 2.720(32.90) | 100 | 3.039(29.37) | 72 | 1.626(56.55) | 56 | Morimotoite | Ca3TiFe++Si3O12 |
| 2.720(32.90) | 100 | 2.780(32.17) | 100 | 3.060(29.16) | 80 | Tundrite-(Ce) | Na2Ce2TiO2(SiO4)(CO3)2 |
| 2.720(32.90) | 100 | 2.600(34.47) | 80 | 3.720(23.90) | 70 | Natrophilite | NaMnPO4 |
| 2.722(32.88) | 100 | 4.220(21.03) | 90 | 3.141(28.39) | 80 | Amicite | K2Na2Al4Si4O16•5(H2O) |
| 2.722(32.88) | 100 | 2.218(40.64) | 70 | 2.527(35.49) | 55 | Geikielite | MgTiO3 |
| 2.722(32.88) | 100 | 2.187(41.24) | 80 | 3.395(26.23) | 50 | IMA2007-010 | PbHgAs2S6 |
| 2.722(32.88) | 100 | 2.760(32.41) | 80 | 2.874(31.09) | 40 | Maoniupingite-(Ce) | (REE,Ca)4(Fe+++,Ti,Fe++,[ ])(Ti,Fe+++,Fe++,Nb)4Si4O22 |
| 2.722(32.88) | 100 | 3.490(25.50) | 80 | 2.760(32.41) | 40 | Maoniupingite-(Ce) | (REE,Ca)4(Fe+++,Ti,Fe++,[ ])(Ti,Fe+++,Fe++,Nb)4Si4O22 |
| 2.722(32.88) | 100 | 8.672(10.19) | 80 | 2.187(41.24) | 50 | IMA2007-010 | PbHgAs2S6 |
| 2.723(32.86) | 100 | 2.992(29.84) | 90 | 3.110(28.68) | 80 | Prosperite | CaZn2(AsO4)2•(H2O) |
| 2.723(32.86) | 100 | 1.664(55.15) | 40 | 2.779(32.18) | 40 | Stavelotite-(La) | La3Mn++3Cu++(Mn+++,Fe+++,Mn++++)26(Si2O7)6O30 |
| 2.723(32.86) | 100 | 2.779(32.18) | 40 | 1.664(55.15) | 40 | Stavelotite-(La) | La3Mn++3Cu++(Mn+++,Fe+++,Mn++++)26(Si2O7)6O30 |
| 2.724(32.85) | 100 | 2.031(44.58) | 57 | 2.550(35.16) | 50 | Clinophosinaite | Na3CaPSiO7 |
| 2.724(32.85) | 100 | 2.639(33.94) | 57 | 2.031(44.58) | 50 | Clinophosinaite | Na3CaPSiO7 |
| 2.725(32.84) | 100 | 2.916(30.63) | 90 | 2.999(29.77) | 80 | Marsturite | NaCaMn3[Si5O14(OH)] |
| 2.725(32.84) | 100 | 3.050(29.26) | 80 | 2.061(43.89) | 75 | Congolite | (Fe++,Mg,Mn)3B7O13Cl |
| 2.726(32.83) | 100 | 5.472(16.18) | 32 | 3.455(25.76) | 17 | Hejtmanite | Ba(Mn,Fe++)2TiO(Si2O7)(OH,F)2 |
| 2.726(32.83) | 100 | 3.534(25.18) | 60 | 4.890(18.13) | 30 | Retzian-(Nd) | Mn2(Nd,Ce,La)(AsO4)(OH)4 |
| 2.727(32.81) | 100 | 3.448(25.82) | 87 | 3.896(22.81) | 66 | Cesanite | Na7Ca3(SO4)6(OH)•0.8(H2O) |
| 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 | 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 | 3.580(24.85) | 100 | 3.300(27.00) | 100 | Vaterite | CaCO3 |
| 2.730(32.78) | 100 | 3.991(22.26) | 70 | 2.223(40.55) | 70 | Brodtkorbite | Cu2HgSe2 |
| 2.730(32.78) | 100 | 2.663(33.63) | 100 | 2.259(39.87) | 80 | Bredigite | Ca7Mg(SiO4)4 |
| 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 | 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 | 2.940(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 | 2.840(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 | 2.223(40.55) | 70 | 3.991(22.26) | 70 | Brodtkorbite | Cu2HgSe2 |
| 2.730(32.78) | 100 | 2.880(31.03) | 90 | 2.590(34.60) | 70 | Cebollite | Ca5Al2(SiO4)3(OH)4 |
| 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 | 2.772(32.27) | 100 | 2.324(38.71) | 30 | Tillmannsite | (Ag3Hg)(V,As)O4 |
| 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 |
| 2.736(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 | 2.860(31.25) | 100 | 2.900(30.81) | 100 | Kentrolite | Pb2Mn+++2Si2O9 |
| 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 | 2.860(31.25) | 80 | 1.680(54.58) | 70 | Mosesite | Hg2N(Cl,SO4,MoO4,CO3)•(H2O) |
| 2.740(32.65) | 100 | 1.582(58.27) | 25 | 3.870(22.96) | 25 | Salammoniac | NH4Cl |
| 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 | 2.770(32.29) | 100 | 1.870(48.65) | 90 | Ruarsite | RuAsS |
| 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 | 2.480(36.19) | 90 | 3.270(27.25) | 80 | Proustite | Ag3AsS3 |
| 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 | 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 | 1.614(57.01) | 56 | 2.757(32.45) | 55 | Holtstamite | Ca3(Al,Mn+++)2(SiO4)2(OH)4 |
| 2.743(32.62) | 100 | 3.212(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 |
| 2.743(32.62) | 100 | 2.872(31.11) | 100 | 5.511(16.07) | 80 | Gianellaite | Hg4(SO4)N2 |
| 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 | 3.887(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 | 2.768(32.32) | 100 | 2.461(36.48) | 80 | Imiterite | Ag2HgS2 |
| 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 | 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 | 3.580(24.85) | 100 | 4.800(18.47) | 90 | Edingtonite | BaAl2Si3O10•4(H2O) |
| 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 | 3.345(26.63) | 90 | 5.570(15.90) | 35 | Lorenzenite | Na2Ti2Si2O9 |
| 2.750(32.53) | 100 | 1.386(67.53) | 100 | 2.880(31.03) | 70 | Olkhonskite | (Cr+++,V+++)2Ti3O9 |
| 2.750(32.53) | 100 | 1.727(52.98) | 90 | 1.871(48.62) | 90 | IMA2000-016 | (Ti,Fe,Mg,Mn)1-xTi2O5 |
| 2.750(32.53) | 100 | 3.550(25.06) | 50 | 1.703(53.78) | 45 | Smithsonite | ZnCO3 |
| 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 | 2.970(30.06) | 50 | 3.600(24.71) | 50 | Leucophanite | (Na,Ca)2BeSi2(O,OH,F)7 |
| 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 | 3.320(26.83) | 100 | 3.030(29.45) | 90 | Denisovite | (K,Na)Ca2Si3O8(F,OH) |
| 2.750(32.53) | 100 | 3.340(26.67) | 80 | 2.850(31.36) | 70 | Sarcolite | NaCa6Al4Si6O24F (?) |
| 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 | 3.450(25.80) | 100 | 3.000(29.76) | 70 | Marrite | PbAgAsS3 |