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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 |
| 3.264(27.30) | 100 | 4.730(18.74) | 92 | 3.679(24.17) | 72 | Kyanoxalite | Na7(Al5-6Si6-7O24)(C2O4)0.5-1.0•5H2O |
| 3.265(27.29) | 100 | 2.188(41.23) | 71 | 6.726(13.15) | 69 | Chenguodaite | Ag9FeTe2S4 |
| 3.265(27.29) | 100 | 3.098(28.79) | 60 | 3.148(28.33) | 60 | Fairbankite | PbTe++++O3 |
| 3.265(27.29) | 100 | 3.148(28.33) | 60 | 3.098(28.79) | 60 | Fairbankite | PbTe++++O3 |
| 3.266(27.28) | 100 | 3.438(25.89) | 85 | 5.390(16.43) | 80 | Leucite | KAlSi2O6 |
| 3.267(27.27) | 100 | 3.150(28.31) | 62 | 4.279(20.74) | 38 | Hechtsbergite | Bi2O(OH)(VO4) |
| 3.267(27.27) | 100 | 2.520(35.60) | 71 | 4.361(20.35) | 51 | Xocolatlite | Ca2Mn++++2Te++++++2O12•H2O |
| 3.267(27.27) | 100 | 1.735(52.71) | 80 | 1.976(45.89) | 80 | Pirquitasite | Ag2ZnSnS4 |
| 3.267(27.27) | 100 | 1.976(45.89) | 80 | 1.735(52.71) | 80 | Pirquitasite | Ag2ZnSnS4 |
| 3.269(27.26) | 100 | 2.003(45.23) | 40 | 2.140(42.19) | 40 | Kukharenkoite-(Ce) | Ba2Ce(CO3)3F |
| 3.269(27.26) | 100 | 2.140(42.19) | 40 | 2.003(45.23) | 40 | Kukharenkoite-(Ce) | Ba2Ce(CO3)3F |
| 3.270(27.25) | 100 | 1.910(47.57) | 90 | 1.107(88.19) | 90 | Cadmoindite | CdIn2S4 |
| 3.270(27.25) | 100 | 2.980(29.96) | 100 | 1.930(47.04) | 100 | Juanite | Ca10Mg4Al2Si11O39•4(H2O) (?) |
| 3.270(27.25) | 100 | 1.810(50.37) | 100 | 3.160(28.22) | 90 | Nasonite | Pb6Ca4Si6O21Cl2 |
| 3.270(27.25) | 100 | 3.000(29.76) | 100 | 2.780(32.17) | 90 | Arsenbrackebuschite | Pb2(Fe++,Zn)(AsO4)2•(H2O) |
| 3.270(27.25) | 100 | 1.998(45.35) | 100 | 2.140(42.19) | 80 | Kukharenkoite-(La) | Ba2(La,Ce)(CO3)3F |
| 3.270(27.25) | 100 | 4.770(18.59) | 100 | 6.390(13.85) | 75 | Pitiglianoite | Na6K2Si6Al6O24(SO4)•2(H2O) |
| 3.270(27.25) | 100 | 2.922(30.57) | 90 | 3.740(23.77) | 80 | Meneghinite | Pb13CuSb7S24 |
| 3.270(27.25) | 100 | 4.010(22.15) | 100 | 1.998(45.35) | 80 | Kukharenkoite-(La) | Ba2(La,Ce)(CO3)3F |
| 3.270(27.25) | 100 | 4.010(22.15) | 78 | 3.240(27.51) | 42 | Zhonghuacerite-(Ce) | Ba2Ce(CO3)3F |
| 3.270(27.25) | 100 | 3.388(26.28) | 95 | 2.491(36.03) | 93 | Krettnichite | PbMn+++2(VO4)2(OH)2 |
| 3.270(27.25) | 100 | 3.049(29.27) | 80 | 2.278(39.53) | 65 | Ferrobustamite | Ca(Fe++,Ca,Mn)Si2O6 |
| 3.270(27.25) | 100 | 1.107(88.19) | 90 | 1.910(47.57) | 90 | Cadmoindite | CdIn2S4 |
| 3.270(27.25) | 100 | 2.350(38.27) | 50 | 3.910(22.72) | 40 | Kolarite | PbTeCl2 |
| 3.270(27.25) | 100 | 2.231(40.40) | 95 | 1.711(53.51) | 75 | Sellaite | MgF2 |
| 3.271(27.24) | 100 | 2.871(31.13) | 52 | 3.027(29.48) | 41 | Pezzottaite | Cs(Be2Li)Al2Si6O18 |
| 3.273(27.22) | 100 | 7.960(11.11) | 100 | 3.862(23.01) | 100 | Krautite | MnAs+++++O3(OH)2•(H2O) |
| 3.273(27.22) | 100 | 3.695(24.06) | 88 | 2.769(32.30) | 65 | Vishnevite | (Na,Ca,K)6(Si,Al)12O24[(SO4),(CO3),Cl2]2-4•n(H2O) |
| 3.273(27.22) | 100 | 9.290(9.51) | 80 | 4.620(19.20) | 50 | Taneyamalite | (Na,Ca)(Mn++,Mg)12[(Si,Al)6O17]2(O,OH)10 |
| 3.273(27.22) | 100 | 3.862(23.01) | 100 | 7.960(11.11) | 100 | Krautite | MnAs+++++O3(OH)2•(H2O) |
| 3.273(27.22) | 100 | 2.003(45.23) | 70 | 1.707(53.65) | 44 | Stilleite | ZnSe |
| 3.275(27.21) | 100 | 2.873(31.10) | 80 | 2.993(29.83) | 80 | Aurivilliusite | Hg+Hg++OI |
| 3.275(27.21) | 100 | 2.993(29.83) | 80 | 2.873(31.10) | 80 | Aurivilliusite | Hg+Hg++OI |
| 3.276(27.20) | 100 | 3.730(23.84) | 91 | 5.847(15.14) | 83 | IMA2008-067 | SiO2•n(CH4,C2H6,C3H8,C4H10); (nmax = 3/17) |
| 3.278(27.18) | 100 | 8.120(10.89) | 65 | 2.903(30.77) | 64 | Stoppaniite | (Fe,Al,Mg)4(Na,[ ])2[Be6Si12O36]•2(H2O) |
| 3.279(27.17) | 100 | 2.526(35.51) | 60 | 4.423(20.06) | 40 | Lyonsite | Cu++3Fe+++4(VO4)6 |
| 3.279(27.17) | 100 | 8.476(10.43) | 90 | 3.132(28.47) | 60 | Villyaellenite | Mn++5(AsO3OH)2(AsO4)2•4(H2O) |
| 3.280(27.16) | 100 | 3.490(25.50) | 100 | 3.600(24.71) | 100 | Iranite | Pb10Cu(CrO4)6(SiO4)2(F,OH)2 |
| 3.280(27.16) | 100 | 3.600(24.71) | 100 | 3.490(25.50) | 100 | Iranite | Pb10Cu(CrO4)6(SiO4)2(F,OH)2 |
| 3.280(27.16) | 100 | 1.707(53.65) | 100 | 2.520(35.60) | 90 | Struverite | (Ti,Ta,Fe+++)O2 |
| 3.280(27.16) | 100 | 3.190(27.95) | 80 | 3.090(28.87) | 80 | Schumacherite | Bi3[(V,As,P)O4]2O(OH) |
| 3.280(27.16) | 100 | 4.800(18.47) | 100 | 3.670(24.23) | 100 | Davyne | Na4K2Ca2Si6Al6O24(SO4)Cl2 |
| 3.280(27.16) | 100 | 2.840(31.47) | 100 | 2.730(32.78) | 100 | Semenovite | (Na,Ca)9(Ce,La)2(Fe++,Mn)(Si,Be)20(O,OH,F)48 |
| 3.280(27.16) | 100 | 2.560(35.02) | 90 | 1.720(53.21) | 90 | Tripuhyite | Fe++Sb+++++O4 |
| 3.280(27.16) | 100 | 5.030(17.62) | 80 | 2.660(33.67) | 80 | Malayaite | CaSnSiO5 = CaSnOSiO4 |
| 3.280(27.16) | 100 | 1.720(53.21) | 90 | 2.560(35.02) | 90 | Tripuhyite | Fe++Sb+++++O4 |
| 3.280(27.16) | 100 | 3.723(23.88) | 95 | 3.008(29.67) | 50 | Tellurite | TeO2 |
| 3.280(27.16) | 100 | 3.670(24.23) | 100 | 4.800(18.47) | 100 | Davyne | Na4K2Ca2Si6Al6O24(SO4)Cl2 |
| 3.280(27.16) | 100 | 3.263(27.31) | 97 | 3.194(27.91) | 87 | Preisingerite | Bi3(AsO4)2O(OH) |
| 3.280(27.16) | 100 | 3.140(28.40) | 73 | 3.540(25.14) | 31 | Pauflerite | VO(SO4) |
| 3.280(27.16) | 100 | 3.110(28.68) | 90 | 6.200(14.27) | 80 | Vinogradovite | (Na,K)4Ti4(Si,Al)8O26•3(H2O,Na) |
| 3.280(27.16) | 100 | 3.090(28.87) | 80 | 3.190(27.95) | 80 | Schumacherite | Bi3[(V,As,P)O4]2O(OH) |
| 3.280(27.16) | 100 | 3.030(29.45) | 65 | 3.480(25.58) | 55 | Crocoite | PbCrO4 |
| 3.280(27.16) | 100 | 2.660(33.67) | 80 | 5.030(17.62) | 80 | Malayaite | CaSnSiO5 = CaSnOSiO4 |
| 3.280(27.16) | 100 | 2.273(39.62) | 41 | 2.390(37.60) | 40 | Bismuth | Bi |
| 3.280(27.16) | 100 | 4.407(20.13) | 100 | 4.250(20.88) | 80 | Wulfingite | Zn(OH)2 |
| 3.280(27.16) | 100 | 8.480(10.42) | 80 | 3.150(28.31) | 70 | Potassic-magnesiosadanagaite | (K,Na)Ca2(Mg,Fe++,Al,Ti)5[(Si,Al)8O22](OH)2 |
| 3.280(27.16) | 100 | 5.080(17.44) | 60 | 2.536(35.36) | 35 | Orthoericssonite | BaMn2(Fe+++O)Si2O7(OH) |
| 3.282(27.15) | 100 | 3.495(25.46) | 80 | 3.944(22.52) | 50 | Lisitsynite | KBSi2O6 |
| 3.282(27.15) | 100 | 2.843(31.44) | 31 | 4.020(22.09) | 28 | Cliffordite | UTe3O9 |
| 3.283(27.14) | 100 | 3.253(27.39) | 100 | 4.233(20.97) | 65 | Parsonsite | Pb2(UO2)(PO4)2•2(H2O) |
| 3.284(27.13) | 100 | 2.997(29.79) | 80 | 2.446(36.71) | 60 | Dugganite | Pb3Zn3Te(As,V,Si)2(O,OH)14 |
| 3.288(27.10) | 100 | 3.136(28.44) | 100 | 4.960(17.87) | 90 | Lovdarite | K2Na6Be4Si14O36•9(H2O) |
| 3.289(27.09) | 100 | 3.426(25.99) | 100 | 4.037(22.00) | 90 | Eztlite | Pb2Fe+++6(Te++++O3)3(Te++++++O6)(OH)10•8(H2O) |
| 3.289(27.09) | 100 | 4.550(19.49) | 58 | 3.262(27.32) | 35 | Changoite | Na2Zn(SO4)2•4(H2O) |
| 3.290(27.08) | 100 | 4.810(18.43) | 100 | 3.690(24.10) | 100 | Microsommite | (Na,Ca,K)7-8(Si,Al)12O24(Cl,SO4)2-3 |
| 3.290(27.08) | 100 | 3.780(23.52) | 90 | 3.000(29.76) | 90 | Cuprorivaite | CaCuSi4O10 |
| 3.290(27.08) | 100 | 2.940(30.38) | 100 | 1.650(55.66) | 80 | Bazzite | Be3(Sc,Al)2Si6O18 |
| 3.290(27.08) | 100 | 2.412(37.25) | 80 | 1.703(53.78) | 80 | Tugarinovite | MoO2 |
| 3.290(27.08) | 100 | 2.590(34.60) | 100 | 3.000(29.76) | 80 | Crookesite | Cu7(Tl,Ag)Se4 |
| 3.290(27.08) | 100 | 3.140(28.40) | 100 | 3.150(28.31) | 94 | Chekhovichite | (Bi,Pb,Fe)2Te4O11 |
| 3.290(27.08) | 100 | 1.701(53.85) | 80 | 3.380(26.35) | 60 | Umbozerite | Na3Sr4ThSi8(O,OH)24 |
| 3.290(27.08) | 100 | 9.800(9.02) | 80 | 1.980(45.79) | 55 | Zinnwaldite | KLiFe++Al(AlSi3)O10(F,OH)2 |
| 3.290(27.08) | 100 | 3.870(22.96) | 100 | 4.810(18.43) | 90 | Halurgite | Mg2[B4O5(OH)4]2•(H2O) |
| 3.290(27.08) | 100 | 3.690(24.10) | 100 | 4.810(18.43) | 100 | Microsommite | (Na,Ca,K)7-8(Si,Al)12O24(Cl,SO4)2-3 |
| 3.290(27.08) | 100 | 3.000(29.76) | 90 | 3.780(23.52) | 90 | Cuprorivaite | CaCuSi4O10 |
| 3.290(27.08) | 100 | 3.000(29.76) | 80 | 1.903(47.75) | 50 | Kuksite | Pb3Zn3Te++++++O6(PO4)2 |
| 3.290(27.08) | 100 | 2.512(35.71) | 70 | 4.430(20.03) | 60 | Hafnon | HfSiO4 |
| 3.290(27.08) | 100 | 1.925(47.17) | 90 | 3.840(23.14) | 40 | Shadlunite | (Pb,Cd)(Fe,Cu)8S8 |
| 3.290(27.08) | 100 | 1.703(53.78) | 80 | 2.412(37.25) | 80 | Tugarinovite | MoO2 |
| 3.291(27.07) | 100 | 2.614(34.28) | 80 | 3.039(29.37) | 75 | Maxwellite | NaFe+++(AsO4)F |
| 3.292(27.06) | 100 | 3.241(27.50) | 96 | 4.225(21.01) | 58 | Microcline | KAlSi3O8 |
| 3.293(27.06) | 100 | 4.726(18.76) | 57 | 2.894(30.87) | 51 | Vauquelinite | Pb2Cu(CrO4)(PO4)(OH) |
| 3.293(27.06) | 100 | 1.693(54.13) | 45 | 2.464(36.43) | 42 | Pretulite | ScPO4 |
| 3.295(27.04) | 100 | 2.925(30.54) | 75 | 4.430(20.03) | 55 | Nitromagnesite | Mg(NO3)2•6(H2O) |
| 3.296(27.03) | 100 | 2.809(31.83) | 80 | 2.945(30.32) | 40 | Diaphorite | Pb2Ag3Sb3S8 |
| 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 | 3.370(26.43) | 100 | 5.090(17.41) | 100 | Jungite | Ca2Zn4Fe+++8(PO4)9(OH)9•16(H2O) |
| 3.300(27.00) | 100 | 4.010(22.15) | 90 | 2.520(35.60) | 70 | Laurionite | PbCl(OH) |
| 3.300(27.00) | 100 | 2.730(32.78) | 100 | 3.580(24.85) | 100 | Vaterite | CaCO3 |
| 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 | 3.050(29.26) | 90 | 2.510(35.74) | 50 | Chiluite | Bi6Te++++++2Mo++++++2O21 |
| 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 | 2.761(32.40) | 80 | 2.905(30.75) | 80 | Paulmooreite | Pb2As+++2O5 |
| 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 | 2.518(35.63) | 45 | 4.430(20.03) | 45 | Zircon | ZrSiO4 |
| 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 | 3.273(27.22) | 97 | 1.762(51.85) | 41 | Kassite | CaTi2O4(OH)2 |