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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 |
| 3.298(27.01) | 100 | 3.688(24.11) | 100 | 4.820(18.39) | 80 | Afghanite | (Na,Ca,K)8(Si,Al)12O24(SO4,Cl,CO3)3•(H2O) |
| 3.299(27.01) | 100 | 3.130(28.49) | 100 | 6.589(13.43) | 75 | Montesommaite | (K,Na)9Al9Si23O64•10(H2O) |
| 3.299(27.01) | 100 | 3.257(27.36) | 100 | 3.324(26.80) | 100 | Terskite | Na4ZrSi6O15(OH)2•2(H2O) |
| 3.300(27.00) | 100 | 2.250(40.04) | 20 | 1.400(66.76) | 10 | Allophane | Al2O3•(SiO2)1.3-2•((H2O))2.5-3 |
| 3.300(27.00) | 100 | 4.010(22.15) | 90 | 2.520(35.60) | 70 | Laurionite | PbCl(OH) |
| 3.300(27.00) | 100 | 5.090(17.41) | 100 | 3.370(26.43) | 100 | Jungite | Ca2Zn4Fe+++8(PO4)9(OH)9•16(H2O) |
| 3.300(27.00) | 100 | 2.905(30.75) | 80 | 2.761(32.40) | 80 | Paulmooreite | Pb2As+++2O5 |
| 3.300(27.00) | 100 | 3.780(23.52) | 60 | 2.720(32.90) | 60 | Kelyanite | (Hg+2)6(SbO6)BrCl2 |
| 3.300(27.00) | 100 | 2.730(32.78) | 100 | 3.580(24.85) | 100 | Vaterite | CaCO3 |
| 3.300(27.00) | 100 | 3.160(28.22) | 100 | 2.530(35.45) | 100 | Odintsovite | K2Na4Ca3Ti2Be4Si12O38 |
| 3.300(27.00) | 100 | 3.370(26.43) | 100 | 5.090(17.41) | 100 | Jungite | Ca2Zn4Fe+++8(PO4)9(OH)9•16(H2O) |
| 3.300(27.00) | 100 | 3.273(27.22) | 97 | 1.762(51.85) | 41 | Kassite | CaTi2O4(OH)2 |
| 3.300(27.00) | 100 | 2.518(35.63) | 45 | 4.430(20.03) | 45 | Zircon | ZrSiO4 |
| 3.300(27.00) | 100 | 2.720(32.90) | 60 | 3.780(23.52) | 60 | Kelyanite | (Hg+2)6(SbO6)BrCl2 |
| 3.300(27.00) | 100 | 2.761(32.40) | 80 | 2.905(30.75) | 80 | Paulmooreite | Pb2As+++2O5 |
| 3.300(27.00) | 100 | 2.900(30.81) | 80 | 3.800(23.39) | 30 | Uchucchacuaite | AgPb3MnSb5S12 |
| 3.300(27.00) | 100 | 2.900(30.81) | 80 | 3.450(25.80) | 40 | Andorite | PbAgSb3S6 |
| 3.300(27.00) | 100 | 2.920(30.59) | 70 | 4.650(19.07) | 50 | Carnallite | KMgCl3•6(H2O) |
| 3.300(27.00) | 100 | 3.000(29.76) | 90 | 1.607(57.28) | 60 | Cheremnykhite | Zn3Pb3Te++++O6(VO4)2 |
| 3.300(27.00) | 100 | 3.050(29.26) | 90 | 2.510(35.74) | 50 | Chiluite | Bi6Te++++++2Mo++++++2O21 |
| 3.300(27.00) | 100 | 3.250(27.42) | 80 | 2.331(38.59) | 56 | Tinaksite | K2Na(Ca,Mn++)2(Ti,Fe)O[Si7O18(OH)] |
| 3.300(27.00) | 100 | 4.430(20.03) | 45 | 2.518(35.63) | 45 | Zircon | ZrSiO4 |
| 3.302(26.98) | 100 | 3.163(28.19) | 69 | 3.110(28.68) | 69 | Hemihedrite | Pb10Zn(CrO4)6(SiO4)2F2 |
| 3.302(26.98) | 100 | 3.110(28.68) | 69 | 3.163(28.19) | 69 | Hemihedrite | Pb10Zn(CrO4)6(SiO4)2F2 |
| 3.304(26.96) | 100 | 2.584(34.69) | 49 | 1.732(52.81) | 36 | Squawcreekite | (Fe+++,Sb+++++,W++++++)O4•(H2O) |
| 3.305(26.96) | 100 | 2.864(31.20) | 84 | 3.328(26.77) | 82 | Wallisite | PbTl(Cu,Ag)As2S5 |
| 3.307(26.94) | 100 | 3.950(22.49) | 95 | 3.027(29.48) | 95 | Tinticite | Fe+++5(PO4,VO4)4•7(H2O) |
| 3.307(26.94) | 100 | 3.027(29.48) | 95 | 3.950(22.49) | 95 | Tinticite | Fe+++5(PO4,VO4)4•7(H2O) |
| 3.307(26.94) | 100 | 2.880(31.03) | 90 | 4.160(21.34) | 65 | Milarite | K2Ca4Al2Be4Si24O60•(H2O) |
| 3.310(26.91) | 100 | 2.870(31.14) | 100 | 1.740(52.55) | 100 | Hollingworthite | (Rh,Pt,Pd)AsS |
| 3.310(26.91) | 100 | 3.070(29.06) | 100 | 3.590(24.78) | 100 | Polylithionite | KLi2AlSi4O10(F,OH)2 |
| 3.310(26.91) | 100 | 2.800(31.94) | 62 | 2.710(33.03) | 40 | Tokyoite | Ba2Mn(VO4)2(OH) |
| 3.310(26.91) | 100 | 2.980(29.96) | 100 | 2.880(31.03) | 100 | Fornacite | Pb2Cu(CrO4)(AsO4)(OH) |
| 3.310(26.91) | 100 | 2.640(33.93) | 100 | 5.280(16.78) | 100 | Iraqite-(La) | K(La,Ce,Th)2(Ca,Na)4(Si,Al)16O40 |
| 3.310(26.91) | 100 | 3.130(28.49) | 86 | 2.930(30.48) | 84 | Wurtzite | (Zn,Fe)S |
| 3.310(26.91) | 100 | 3.710(23.97) | 100 | 4.850(18.28) | 70 | Quadridavyne | (Na,K)6Ca2Al6Si6O24Cl4 |
| 3.311(26.91) | 100 | 1.635(56.21) | 100 | 7.400(11.95) | 100 | Akaganeite | Fe+++(O,OH,Cl) |
| 3.313(26.89) | 100 | 3.361(26.50) | 65 | 3.800(23.39) | 53 | Tazieffite | Pb20Cd2(As,Bi)22S50Cl10 |
| 3.314(26.88) | 100 | 2.863(31.22) | 90 | 3.401(26.18) | 80 | Hatchite | (Pb,Tl)2AgAs2S5 |
| 3.314(26.88) | 100 | 3.206(27.80) | 60 | 1.656(55.44) | 40 | Lipscombite | (Fe++,Mn)Fe+++2(PO4)2(OH)2 |
| 3.314(26.88) | 100 | 2.292(39.28) | 100 | 5.507(16.08) | 100 | Diaboleite | Pb2CuCl2(OH)4 |
| 3.314(26.88) | 100 | 3.830(23.20) | 85 | 3.520(25.28) | 80 | Wollastonite-1A | CaSiO3 |
| 3.314(26.88) | 100 | 3.830(23.20) | 85 | 3.520(25.28) | 80 | Wollastonite-3A-4A-5A-7A | CaSiO3 |
| 3.318(26.85) | 100 | 2.662(33.64) | 30 | 8.923(9.90) | 20 | Bonshtedtite | Na3Fe++(PO4)(CO3) |
| 3.318(26.85) | 100 | 3.341(26.66) | 100 | 1.808(50.43) | 70 | Argentopyrite | AgFe2S3 |
| 3.319(26.84) | 100 | 7.120(12.42) | 100 | 3.495(25.46) | 100 | Rameauite | K2CaU++++++6O20•9(H2O) |
| 3.319(26.84) | 100 | 3.495(25.46) | 100 | 7.120(12.42) | 100 | Rameauite | K2CaU++++++6O20•9(H2O) |
| 3.319(26.84) | 100 | 3.232(27.58) | 90 | 5.620(15.76) | 70 | Bamfordite | Fe+++Mo2O6(OH)3•(H2O) |
| 3.320(26.83) | 100 | 2.870(31.14) | 100 | 1.740(52.55) | 100 | Irarsite | (Ir,Ru,Rh,Pt)AsS |
| 3.320(26.83) | 100 | 3.290(27.08) | 55 | 2.939(30.39) | 55 | Fizelyite | Pb14Ag5Sb21S48 (?) |
| 3.320(26.83) | 100 | 3.060(29.16) | 100 | 2.730(32.78) | 60 | Tungstibite | Sb2O3•WO3 |
| 3.320(26.83) | 100 | 2.570(34.88) | 90 | 1.730(52.88) | 90 | Bystromite | MgSb2O6 |
| 3.320(26.83) | 100 | 2.979(29.97) | 60 | 2.845(31.42) | 60 | Molybdofornacite | Pb2Cu[(As,P)O4][(Mo,Cr)O4](OH) |
| 3.320(26.83) | 100 | 2.660(33.67) | 100 | 2.570(34.88) | 80 | Bradleyite | Na3Mg(PO4)(CO3) |
| 3.320(26.83) | 100 | 2.750(32.53) | 100 | 3.030(29.45) | 90 | Denisovite | (K,Na)Ca2Si3O8(F,OH) |
| 3.320(26.83) | 100 | 1.730(52.88) | 90 | 2.570(34.88) | 90 | Bystromite | MgSb2O6 |
| 3.320(26.83) | 100 | 9.950(8.88) | 95 | 2.570(34.88) | 55 | Muscovite | KAl2(Si3Al)O10(OH,F)2 |
| 3.320(26.83) | 100 | 10.100(8.75) | 72 | 3.350(26.59) | 65 | Masutomilite | K(Li,Al,Mn++)3[(Si,Al)4O10](F,OH)2 |
| 3.320(26.83) | 100 | 4.990(17.76) | 90 | 2.490(36.04) | 80 | Anandite | (Ba,K)(Fe++,Mg)3(Si,Al,Fe)4O10(S,OH)2 |
| 3.320(26.83) | 100 | 3.490(25.50) | 30 | 3.680(24.16) | 20 | Lopezite | K2Cr2O7 |
| 3.320(26.83) | 100 | 3.390(26.27) | 100 | 2.785(32.11) | 70 | Playfairite | Pb16Sb18S43 |
| 3.320(26.83) | 100 | 2.845(31.42) | 60 | 2.979(29.97) | 60 | Molybdofornacite | Pb2Cu[(As,P)O4][(Mo,Cr)O4](OH) |
| 3.320(26.83) | 100 | 2.939(30.39) | 55 | 3.290(27.08) | 55 | Fizelyite | Pb14Ag5Sb21S48 (?) |
| 3.320(26.83) | 100 | 2.671(33.52) | 80 | 13.400(6.59) | 50 | Hyttsjoite | Pb18Ba2Ca5Mn++2Fe+++2Si30O90Cl•6(H2O) |
| 3.320(26.83) | 100 | 1.912(47.51) | 85 | 2.570(34.88) | 65 | Kadyrelite | Hg4(Br,Cl)2O |
| 3.321(26.82) | 100 | 3.358(26.52) | 86 | 3.090(28.87) | 60 | Ferroaluminoceladonite | K2Fe++2Al2Si8O20(OH)4 |
| 3.321(26.82) | 100 | 3.358(26.52) | 86 | 3.090(28.87) | 60 | Ferroceladonite | K2Fe++Fe+++Si8O20(OH)4 |
| 3.322(26.81) | 100 | 4.546(19.51) | 96 | 3.029(29.46) | 85 | Oswaldpeetersite | (UO2)2CO3(OH)2•4(H2O) |
| 3.322(26.81) | 100 | 3.248(27.44) | 93 | 6.940(12.74) | 84 | Sidwillite | MoO3•2(H2O) |
| 3.324(26.80) | 100 | 2.029(44.62) | 90 | 1.731(52.85) | 60 | IMA2009-014 | SrF2 |
| 3.324(26.80) | 100 | 3.299(27.01) | 100 | 3.257(27.36) | 100 | Terskite | Na4ZrSi6O15(OH)2•2(H2O) |
| 3.326(26.78) | 100 | 4.790(18.51) | 80 | 3.210(27.77) | 60 | Zinclipscombite | ZnFe+++2(PO4)2(OH) |
| 3.330(26.75) | 100 | 1.660(55.29) | 70 | 1.996(45.40) | 60 | Chernykhite | (Ba,Na)V+++,Al)2(Si,Al)4O10(OH)2 |
| 3.330(26.75) | 100 | 1.934(46.94) | 60 | 1.282(73.86) | 40 | Laurelite | Pb7F12Cl2 |
| 3.330(26.75) | 100 | 2.530(35.45) | 60 | 2.564(34.97) | 60 | Joesmithite | PbCa2(Mg,Fe++,Fe+++)5Si6Be2O22(OH)2 |
| 3.330(26.75) | 100 | 2.564(34.97) | 60 | 2.530(35.45) | 60 | Joesmithite | PbCa2(Mg,Fe++,Fe+++)5Si6Be2O22(OH)2 |
| 3.330(26.75) | 100 | 2.607(34.37) | 70 | 1.660(55.29) | 60 | Chernykhite | (Ba,Na)V+++,Al)2(Si,Al)4O10(OH)2 |
| 3.330(26.75) | 100 | 3.120(28.59) | 55 | 3.030(29.45) | 50 | Wesselsite | SrCu++Si4O10 |
| 3.330(26.75) | 100 | 2.910(30.70) | 60 | 3.450(25.80) | 40 | Ramdohrite | Ag3Pb6Sb11S24 |
| 3.330(26.75) | 100 | 1.282(73.86) | 60 | 1.709(53.58) | 40 | Laurelite | Pb7F12Cl2 |
| 3.330(26.75) | 100 | 17.600(5.02) | 100 | 8.650(10.22) | 80 | Liskeardite | (Al,Fe+++)3(AsO4)(OH)6•5(H2O) |
| 3.330(26.75) | 100 | 3.140(28.40) | 100 | 2.970(30.06) | 100 | Magniotriplite | (Mg,Fe++,Mn)2(PO4)F |
| 3.330(26.75) | 100 | 4.850(18.28) | 90 | 3.760(23.64) | 80 | Alloriite | Na5K1.5Ca(Si6Al6O24)(SO4)(OH)0.5•H2O |
| 3.330(26.75) | 100 | 2.174(41.50) | 100 | 1.918(47.36) | 100 | Genthelvite | Zn4Be3(SiO4)3S |
| 3.330(26.75) | 100 | 4.480(19.80) | 67 | 3.870(22.96) | 40 | Orlovite | KLi2TiSi4O11F |
| 3.330(26.75) | 100 | 3.870(22.96) | 67 | 9.960(8.87) | 40 | Orlovite | KLi2TiSi4O11F |
| 3.330(26.75) | 100 | 9.950(8.88) | 90 | 2.400(37.44) | 40 | Tainiolite | KLiMg2Si4O10F2 |
| 3.330(26.75) | 100 | 2.400(37.44) | 90 | 4.980(17.80) | 40 | Tainiolite | KLiMg2Si4O10F2 |
| 3.330(26.75) | 100 | 1.805(50.52) | 7 | 2.560(35.02) | 6 | Sopcheite | Ag4Pd3Te4 |
| 3.330(26.75) | 100 | 3.270(27.25) | 50 | 4.810(18.43) | 50 | Hentschelite | Cu++Fe+++2(PO4)2(OH)2 |
| 3.330(26.75) | 100 | 4.810(18.43) | 50 | 3.270(27.25) | 50 | Hentschelite | Cu++Fe+++2(PO4)2(OH)2 |
| 3.333(26.72) | 100 | 4.495(19.73) | 100 | 10.200(8.66) | 100 | Ashburtonite | HPb4Cu++4Si4O12(HCO3)4(OH)4Cl |
| 3.333(26.72) | 100 | 10.200(8.66) | 100 | 4.495(19.73) | 100 | Ashburtonite | HPb4Cu++4Si4O12(HCO3)4(OH)4Cl |
| 3.335(26.71) | 100 | 4.430(20.03) | 90 | 3.391(26.26) | 58 | Moganite | SiO2 |
| 3.336(26.70) | 100 | 2.490(36.04) | 100 | 4.800(18.47) | 80 | Parakhinite | Cu++3PbTe++++++O4(OH)6 |
| 3.336(26.70) | 100 | 2.752(32.51) | 68 | 2.878(31.05) | 64 | Ronneburgite | K2MnV4O12 |
| 3.337(26.69) | 100 | 3.248(27.44) | 90 | 3.014(29.61) | 80 | Yakovenchukite-(Y) | K3NaCaY2(Si12O30)•4H2O |
| 3.338(26.68) | 100 | 3.506(25.38) | 90 | 4.000(22.21) | 80 | Augelite | Al2(PO4)(OH)3 |
| 3.338(26.68) | 100 | 3.234(27.56) | 100 | 3.015(29.60) | 100 | Olsacherite | Pb2(SeO4)(SO4) |
| 3.340(26.67) | 100 | 2.300(39.13) | 100 | 3.560(24.99) | 80 | Alamosite | PbSiO3 |