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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 |
| 2.535(35.38) | 100 | 3.502(25.41) | 85 | 7.000(12.64) | 85 | Kellyite | (Mn++,Mg,Al)3(Si,Al)2O5(OH)4 |
| 2.535(35.38) | 100 | 7.000(12.64) | 85 | 3.502(25.41) | 85 | Kellyite | (Mn++,Mg,Al)3(Si,Al)2O5(OH)4 |
| 2.536(35.36) | 100 | 2.714(32.98) | 87 | 3.361(26.50) | 71 | Fangite | Tl3AsS4 |
| 2.537(35.35) | 100 | 2.550(35.16) | 85 | 8.438(10.48) | 80 | IMA2008-048 | Zn6(PO4)4•7H2O |
| 2.540(35.31) | 100 | 4.290(20.69) | 90 | 3.510(25.35) | 90 | Triphylite | LiFe++PO4 |
| 2.540(35.31) | 100 | 3.528(25.22) | 100 | 2.816(31.75) | 100 | Junitoite | CaZn2Si2O7•(H2O) |
| 2.540(35.31) | 100 | 5.900(15.00) | 63 | 1.800(50.67) | 63 | Lawrencite | (Fe++,Ni)Cl2 |
| 2.540(35.31) | 100 | 4.670(18.99) | 90 | 5.210(17.00) | 80 | Nastrophite | Na(Sr,Ba)(PO4)•9(H2O) |
| 2.540(35.31) | 100 | 3.510(25.35) | 90 | 4.290(20.69) | 90 | Triphylite | LiFe++PO4 |
| 2.540(35.31) | 100 | 2.816(31.75) | 100 | 3.528(25.22) | 100 | Junitoite | CaZn2Si2O7•(H2O) |
| 2.540(35.31) | 100 | 1.800(50.67) | 63 | 5.900(15.00) | 63 | Lawrencite | (Fe++,Ni)Cl2 |
| 2.540(35.31) | 100 | 1.484(62.54) | 90 | 1.615(56.97) | 70 | Brunogeierite | (Ge++,Fe++)Fe+++2O4 |
| 2.540(35.31) | 100 | 1.470(63.20) | 80 | 2.230(40.41) | 50 | Feroxyhyte | Fe+++O(OH) |
| 2.540(35.31) | 100 | 2.650(33.80) | 85 | 3.890(22.84) | 48 | Radtkeite | Hg3S2ClI |
| 2.545(35.24) | 100 | 2.828(31.61) | 88 | 3.188(27.96) | 85 | Cobaltlotharmeyerite | Ca(Co,Fe,Ni)2(AsO4)2(OH,H2O)2 |
| 2.545(35.24) | 100 | 2.640(33.93) | 100 | 2.935(30.43) | 80 | Kullerudite | NiSe2 |
| 2.545(35.24) | 100 | 2.325(38.70) | 90 | 1.716(53.34) | 80 | Gersdorffite | NiAsS |
| 2.547(35.21) | 100 | 5.750(15.40) | 70 | 5.090(17.41) | 70 | Donharrisite | Ni8Hg3S9 |
| 2.547(35.21) | 100 | 4.456(19.91) | 90 | 1.486(62.44) | 90 | Saliotite | Na0.5Li0.5Al3AlSi3O10(OH)5 |
| 2.547(35.21) | 100 | 1.486(62.44) | 90 | 4.456(19.91) | 90 | Saliotite | Na0.5Li0.5Al3AlSi3O10(OH)5 |
| 2.547(35.21) | 100 | 5.090(17.41) | 70 | 5.750(15.40) | 70 | Donharrisite | Ni8Hg3S9 |
| 2.548(35.19) | 100 | 2.514(35.68) | 100 | 5.100(17.37) | 50 | Bonaccordite | Ni2Fe+++BO5 |
| 2.548(35.19) | 100 | 3.051(29.25) | 90 | 3.516(25.31) | 50 | Lithiophilite | LiMnPO4 |
| 2.549(35.18) | 100 | 5.890(15.03) | 90 | 5.090(17.41) | 90 | Dumortierite | Al6.5-7(BO3)(SiO4)3(O,OH)3 |
| 2.549(35.18) | 100 | 5.090(17.41) | 90 | 5.890(15.03) | 90 | Dumortierite | Al6.5-7(BO3)(SiO4)3(O,OH)3 |
| 2.550(35.16) | 100 | 2.610(34.33) | 100 | 4.520(19.62) | 100 | Beidellite | Na0.5Al2(Si3.5Al0.5)O10(OH)2•n(H2O) |
| 2.550(35.16) | 100 | 12.300(7.18) | 100 | 4.160(21.34) | 100 | Stilpnomelane | K(Fe++,Mg,Fe+++)8(Si,Al)12(O,OH)27•n(H2O) |
| 2.550(35.16) | 100 | 4.520(19.62) | 100 | 2.610(34.33) | 100 | Beidellite | Na0.5Al2(Si3.5Al0.5)O10(OH)2•n(H2O) |
| 2.550(35.16) | 100 | 2.740(32.65) | 90 | 2.800(31.94) | 80 | Langbanite | (Mn,Ca,Fe)++4(Mn+++,Fe+++)9Sb+++++Si2O24 |
| 2.550(35.16) | 100 | 3.390(26.27) | 46 | 4.860(18.24) | 37 | Schwertmannite | Fe+++16O16(OH)12(SO4)2 |
| 2.550(35.16) | 100 | 3.080(28.97) | 100 | 3.480(25.58) | 90 | Prehnite | Ca2Al2Si3O10(OH)2 |
| 2.550(35.16) | 100 | 2.690(33.28) | 80 | 5.900(15.00) | 50 | Chlormanganokalite | K4MnCl6 |
| 2.550(35.16) | 100 | 4.160(21.34) | 100 | 12.300(7.18) | 100 | Stilpnomelane | K(Fe++,Mg,Fe+++)8(Si,Al)12(O,OH)27•n(H2O) |
| 2.550(35.16) | 100 | 3.890(22.84) | 100 | 2.810(31.82) | 80 | Fiedlerite | Pb3Cl4F(OH)2 |
| 2.550(35.16) | 100 | 1.499(61.84) | 80 | 2.990(29.86) | 70 | Franklinite | (Zn,Mn++,Fe++)(Fe+++,Mn+++)2O4 |
| 2.550(35.16) | 100 | 1.630(56.40) | 70 | 1.500(61.80) | 60 | Manganochromite | (Mn,Fe++)(Cr,V)2O4 |
| 2.550(35.16) | 100 | 2.980(29.96) | 100 | 1.955(46.41) | 90 | Balkanite | Cu9Ag5HgS8 |
| 2.550(35.16) | 100 | 2.890(30.92) | 90 | 2.600(34.47) | 80 | Nierite | Si3N4 |
| 2.551(35.15) | 100 | 3.430(25.96) | 80 | 3.950(22.49) | 70 | Olenite | NaAl3Al6(BO3)3(Si6O18)(O,OH)4 |
| 2.552(35.14) | 100 | 1.677(54.69) | 60 | 1.723(53.11) | 50 | Nelenite | (Mn,Fe++)16Si12As+++3O36(OH)17 |
| 2.552(35.14) | 100 | 2.476(36.25) | 90 | 2.843(31.44) | 65 | Rammelsbergite | NiAs2 |
| 2.555(35.09) | 100 | 5.813(15.23) | 80 | 2.035(44.48) | 80 | Paracostibite | CoSbS |
| 2.555(35.09) | 100 | 2.035(44.48) | 80 | 5.813(15.23) | 80 | Paracostibite | CoSbS |
| 2.555(35.09) | 100 | 3.182(28.02) | 100 | 2.718(32.93) | 80 | Manganlotharmeyerite | Ca(Mn+++,Mg,)2(AsO4)2(OH,H2O)2 |
| 2.555(35.09) | 100 | 2.718(32.93) | 100 | 4.930(17.98) | 80 | Manganlotharmeyerite | Ca(Mn+++,Mg,)2(AsO4)2(OH,H2O)2 |
| 2.556(35.08) | 100 | 1.544(59.85) | 100 | 2.992(29.84) | 60 | Glagolevite | NaMg6[Si3AlO10](OH,O)8•H2O |
| 2.556(35.08) | 100 | 2.010(45.07) | 60 | 2.823(31.67) | 50 | Suanite | Mg2B2O5 |
| 2.557(35.06) | 100 | 1.806(50.49) | 100 | 2.869(31.15) | 78 | Jerrygibbsite | (Mn,Zn)9(SiO4)4(OH)2 |
| 2.557(35.06) | 100 | 3.175(28.08) | 90 | 3.414(26.08) | 90 | Lotharmeyerite | CaZnMn+++(AsO3OH)4(OH)3 |
| 2.557(35.06) | 100 | 6.810(12.99) | 45 | 2.267(39.73) | 35 | Rorisite | (Ca,Mg)FCl |
| 2.557(35.06) | 100 | 3.414(26.08) | 90 | 3.175(28.08) | 90 | Lotharmeyerite | CaZnMn+++(AsO3OH)4(OH)3 |
| 2.558(35.05) | 100 | 3.119(28.60) | 100 | 1.560(59.18) | 80 | Harrisonite | Ca(Fe++,Mg)6(PO4)2(SiO4)2 |
| 2.559(35.04) | 100 | 1.502(61.71) | 80 | 1.633(56.29) | 40 | Vuorelainenite | (Mn++,Fe++)(V+++,Cr+++)2O4 |
| 2.559(35.04) | 100 | 2.521(35.58) | 95 | 2.371(37.92) | 65 | Pararammelsbergite | NiAs2 |
| 2.559(35.04) | 100 | 4.050(21.93) | 90 | 12.200(7.24) | 80 | Philipsburgite | (Cu,Zn)6(AsO4,PO4)2(OH)6•(H2O) |
| 2.560(35.02) | 100 | 1.527(60.59) | 70 | 1.662(55.22) | 60 | Filipstadite | (Mn++,Mg)4Sb+++++Fe+++O8 |
| 2.560(35.02) | 100 | 2.860(31.25) | 85 | 3.610(24.64) | 85 | Tephroite | Mn2SiO4 |
| 2.560(35.02) | 100 | 2.110(42.82) | 70 | 3.210(27.77) | 70 | Clintonite | Ca(Mg,Al)3(Al3Si)O10(OH)2 |
| 2.560(35.02) | 100 | 3.610(24.64) | 85 | 2.860(31.25) | 85 | Tephroite | Mn2SiO4 |
| 2.560(35.02) | 100 | 3.210(27.77) | 70 | 2.110(42.82) | 70 | Clintonite | Ca(Mg,Al)3(Al3Si)O10(OH)2 |
| 2.560(35.02) | 100 | 7.100(12.46) | 90 | 3.548(25.08) | 60 | Cronstedtite | Fe++2Fe+++(SiFe+++)O5(OH)4 |
| 2.560(35.02) | 100 | 7.160(12.35) | 70 | 2.888(30.94) | 60 | Mcgillite | (Mn,Fe++)8Si6O15(OH)8Cl2 |
| 2.560(35.02) | 100 | 7.170(12.33) | 90 | 3.600(24.71) | 70 | Friedelite | Mn8Si6O15(OH,Cl)10 |
| 2.560(35.02) | 100 | 2.220(40.60) | 90 | 1.574(58.60) | 80 | Niobocarbide | (Nb,Ta)C |
| 2.560(35.02) | 100 | 1.912(47.51) | 80 | 1.410(66.23) | 70 | Gudmundite | FeSbS |
| 2.560(35.02) | 100 | 2.660(33.67) | 100 | 2.230(40.41) | 60 | Naumannite | Ag2Se |
| 2.562(34.99) | 100 | 4.960(17.87) | 70 | 5.520(16.04) | 70 | Shortite | Na2Ca2(CO3)3 |
| 2.562(34.99) | 100 | 2.489(36.06) | 100 | 4.720(18.78) | 100 | Cornubite | Cu5(AsO4)2(OH)4 |
| 2.562(34.99) | 100 | 5.520(16.04) | 70 | 4.960(17.87) | 70 | Shortite | Na2Ca2(CO3)3 |
| 2.563(34.98) | 100 | 1.503(61.66) | 40 | 3.005(29.71) | 35 | Jacobsite | (Mn++,Fe++,Mg)(Fe+++,Mn+++)2O4 |
| 2.567(34.92) | 100 | 3.969(22.38) | 100 | 4.211(21.08) | 90 | Magnesiofoitite | [ ](Mg2Al)Al6(Si6O18)(BO3)3(OH)4 |
| 2.569(34.90) | 100 | 1.540(60.02) | 50 | 2.873(31.10) | 40 | Almandine | Fe++3Al2(SiO4)3 |
| 2.570(34.88) | 100 | 3.016(29.59) | 40 | 1.506(61.52) | 40 | Iwakiite | Mn++(Fe+++,Mn+++)2O4 |
| 2.570(34.88) | 100 | 5.070(17.48) | 80 | 2.160(41.78) | 60 | Azoproite | (Mg,Fe++)2(Fe+++,Ti,Mg)BO5 |
| 2.570(34.88) | 100 | 4.176(21.26) | 38 | 2.957(30.20) | 30 | Yuanfuliite | (Mg,Fe++)(Fe+++,Al,Mg,Ti,Fe++)(BO3)O |
| 2.570(34.88) | 100 | 1.506(61.52) | 40 | 3.016(29.59) | 40 | Iwakiite | Mn++(Fe+++,Mn+++)2O4 |
| 2.571(34.87) | 100 | 3.559(25.00) | 80 | 7.120(12.42) | 80 | Greenalite | (Fe++,Fe+++)2-3Si2O5(OH)4 |
| 2.571(34.87) | 100 | 2.602(34.44) | 95 | 1.504(61.61) | 91 | Ganterite | [Ba0.5(Na,K)0.5]Al2(Si2.5Al1.5O10)(OH)2 |
| 2.571(34.87) | 100 | 7.120(12.42) | 80 | 3.559(25.00) | 80 | Greenalite | (Fe++,Fe+++)2-3Si2O5(OH)4 |
| 2.572(34.85) | 100 | 1.503(61.66) | 100 | 2.457(36.54) | 70 | Preiswerkite | NaMg2Al3Si2O10(OH)2 |
| 2.573(34.84) | 100 | 3.452(25.79) | 91 | 6.338(13.96) | 84 | Foitite | [ ]Na<0.5(Fe++,Al)3Al6Si6O18(BO3)3(OH)4 |
| 2.574(34.83) | 100 | 1.509(61.39) | 45 | 1.643(55.92) | 35 | Ulvospinel | TiFe++2O4 |
| 2.574(34.83) | 100 | 2.911(30.69) | 70 | 4.210(21.08) | 60 | Ardennite-(As) | (Mn++,Ca,Mg)4(Al,Mg,Fe)6(SiO4)2(Si3O10)(AsO4,VO4)(OH)6 |
| 2.574(34.83) | 100 | 2.729(32.79) | 90 | 2.707(33.06) | 80 | Maricite | NaFe++PO4 |
| 2.575(34.81) | 100 | 5.150(17.20) | 30 | 1.536(60.20) | 17 | Vonsenite | Fe++2Fe+++BO5 |
| 2.575(34.81) | 100 | 4.550(19.49) | 80 | 3.350(26.59) | 60 | Voloshinite | Rb(LiAl1.5[ ]0.5)(Al0.5Si3.5)O10F2 |
| 2.575(34.81) | 100 | 3.350(26.59) | 80 | 10.100(8.75) | 60 | Voloshinite | Rb(LiAl1.5[ ]0.5)(Al0.5Si3.5)O10F2 |
| 2.576(34.80) | 100 | 3.990(22.26) | 85 | 2.961(30.16) | 85 | Dravite | NaMg3Al6(BO3)3Si6O18(OH)4 |
| 2.576(34.80) | 100 | 2.961(30.16) | 85 | 3.990(22.26) | 85 | Dravite | NaMg3Al6(BO3)3Si6O18(OH)4 |
| 2.576(34.80) | 100 | 2.961(30.16) | 85 | 3.990(22.26) | 85 | Elbaite | Na(Li,Al)3Al6(BO3)3Si6O18(OH)4 |
| 2.576(34.80) | 100 | 2.961(30.16) | 85 | 3.990(22.26) | 85 | Schorl | NaFe++3Al6(BO3)3Si6O18(OH)4 |
| 2.576(34.80) | 100 | 3.990(22.26) | 85 | 2.961(30.16) | 85 | Elbaite | Na(Li,Al)3Al6(BO3)3Si6O18(OH)4 |
| 2.576(34.80) | 100 | 3.990(22.26) | 85 | 2.961(30.16) | 85 | Schorl | NaFe++3Al6(BO3)3Si6O18(OH)4 |
| 2.578(34.77) | 100 | 2.686(33.33) | 100 | 1.435(64.93) | 90 | Fluorocannilloite | CaCa2(Mg4Al)Si5Al3O22F2 |
| 2.579(34.76) | 100 | 2.557(35.06) | 90 | 4.619(19.20) | 40 | Nullaginite | Ni2(CO3)(OH)2 |
| 2.580(34.74) | 100 | 1.540(60.02) | 100 | 2.880(31.03) | 60 | Pyrope | Mg3Al2(SiO4)3 |
| 2.580(34.74) | 100 | 1.540(60.02) | 100 | 2.880(31.03) | 60 | Majorite | Mg3(Fe,Al,Si)2(SiO4)3 |
| 2.580(34.74) | 100 | 1.500(61.80) | 50 | 1.600(57.56) | 50 | Warwickite | Mg(Ti,Fe+++,Al)(BO3)O |
| 2.580(34.74) | 100 | 1.683(54.48) | 100 | 2.820(31.70) | 90 | Yafsoanite | Ca3Te2Zn3O12 |
| 2.580(34.74) | 100 | 2.108(42.87) | 56 | 5.160(17.17) | 22 | Sakhaite | Ca3Mg(BO3)2(CO3)•0.36(H2O) |