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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.
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Selected X-Ray λ |
Change X-Ray λ |
D1 Å |
D2 Å |
D3 Å |
Tolerance % |
Elements |
|---|
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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 5.790(15.29) | 100 | 2.899(30.82) | 82 | 9.200(9.61) | 39 | Hydromagnesite | Mg5(CO3)4(OH)2•4(H2O) |
| 5.795(15.28) | 100 | 3.498(25.44) | 90 | 3.881(22.90) | 48 | Bobjonesite | VO(SO4)(H2O)3 |
| 5.800(15.26) | 100 | 5.240(16.91) | 90 | 7.620(11.60) | 90 | Indigirite | Mg2Al2(CO3)4(OH)2•15(H2O) |
| 5.800(15.26) | 100 | 7.620(11.60) | 90 | 5.240(16.91) | 90 | Indigirite | Mg2Al2(CO3)4(OH)2•15(H2O) |
| 5.811(15.23) | 100 | 5.032(17.61) | 73 | 2.516(35.66) | 69 | Panichiite | (NH4)2SnCl6 |
| 5.811(15.23) | 100 | 9.318(9.48) | 89 | 5.679(15.59) | 43 | Hellyerite | NiCO3•6(H2O) |
| 5.824(15.20) | 100 | 5.866(15.09) | 80 | 3.163(28.19) | 15 | Hydromolysite | FeCl3•6(H2O) |
| 5.830(15.18) | 100 | 3.880(22.90) | 100 | 11.600(7.61) | 100 | Kolovratite | Hydrous vanadate of Ni and Zn |
| 5.840(15.16) | 100 | 2.720(32.90) | 72 | 4.980(17.80) | 61 | Jokokuite | MnSO4•5(H2O) |
| 5.840(15.16) | 100 | 4.140(21.45) | 70 | 3.990(22.26) | 60 | Anthonyite | Cu(OH,Cl)2•3(H2O) |
| 5.843(15.15) | 100 | 9.704(9.11) | 100 | 3.139(28.41) | 90 | Dickthomssenite | Mg(V+++++2O6)•7(H2O) |
| 5.850(15.13) | 100 | 2.590(34.60) | 80 | 3.160(28.22) | 25 | Scacchite | MnCl2 |
| 5.850(15.13) | 100 | 3.030(29.45) | 95 | 2.276(39.56) | 45 | Beaverite | PbCu++(Fe+++,Al)2(SO4)2(OH)6 |
| 5.850(15.13) | 100 | 2.882(31.00) | 100 | 6.590(13.42) | 90 | Scolecite | CaAl2Si3O10•3(H2O) |
| 5.870(15.08) | 100 | 2.371(37.92) | 50 | 1.946(46.64) | 45 | Leonite | K2Mg(SO4)2•4(H2O) |
| 5.880(15.05) | 100 | 2.250(40.04) | 90 | 3.650(24.37) | 60 | Benauite | HSrFe+++3(PO4)2(OH)6 |
| 5.880(15.05) | 100 | 3.060(29.16) | 90 | 2.250(40.04) | 60 | Benauite | HSrFe+++3(PO4)2(OH)6 |
| 5.880(15.05) | 100 | 2.944(30.34) | 78 | 3.080(28.97) | 62 | Elsmoreite | WO3•0.5(H2O) |
| 5.890(15.03) | 100 | 2.570(34.88) | 50 | 1.145(84.56) | 10 | Chloromagnesite | MgCl2 |
| 5.890(15.03) | 100 | 3.660(24.30) | 90 | 2.926(30.53) | 80 | Clinochalcomenite | CuSeO3•2(H2O) |
| 5.890(15.03) | 100 | 2.940(30.38) | 50 | 2.570(34.88) | 10 | Chloromagnesite | MgCl2 |
| 5.890(15.03) | 100 | 8.010(11.04) | 100 | 3.140(28.40) | 90 | Dewindtite | Pb3[H(UO2)3O2(PO4)2]2•12(H2O) |
| 5.897(15.01) | 100 | 12.770(6.92) | 90 | 2.871(31.13) | 80 | Mourite | U++++Mo++++++5O12(OH)10 |
| 5.900(15.00) | 100 | 7.950(11.12) | 81 | 3.941(22.54) | 71 | Deliensite | Fe++(UO2)2(SO4)2(OH)2•3(H2O) |
| 5.910(14.98) | 100 | 9.500(9.30) | 90 | 3.160(28.22) | 70 | Zanazziite | Ca2(Mg,Fe++)(Mg,Fe++,Al,Mn,Fe+++)4Be4(PO4)6(OH)4•6(H2O) |
| 5.915(14.97) | 100 | 7.861(11.25) | 87 | 4.372(20.30) | 86 | Kochsandorite | CaAl2(CO3)2(OH)4•H2O |
| 5.920(14.95) | 100 | 3.400(26.19) | 80 | 2.960(30.17) | 60 | Studtite | [(UO2)O2(H2O)2](H2O)2 |
| 5.920(14.95) | 100 | 2.784(32.12) | 86 | 3.170(28.13) | 53 | Atencioite | Ca2Fe++[ ]Mg2Fe++2Be4(PO4)6(OH)4•6H2O |
| 5.926(14.94) | 100 | 6.773(13.06) | 63 | 5.034(17.60) | 58 | Metarossite | CaV2O6•2(H2O) |
| 5.930(14.93) | 100 | 2.360(38.10) | 90 | 4.890(18.13) | 70 | Cesbronite-x | Cu5(TeO3)2(OH)6•2(H2O) |
| 5.930(14.93) | 100 | 3.650(24.37) | 100 | 2.968(30.08) | 80 | Whewellite | Ca(C2O4)•(H2O) |
| 5.930(14.93) | 100 | 3.490(25.50) | 90 | 2.360(38.10) | 70 | Cesbronite-x | Cu5(TeO3)2(OH)6•2(H2O) |
| 5.934(14.92) | 100 | 3.490(25.50) | 92 | 4.889(18.13) | 71 | Cesbronite | Cu5(TeO3)2(OH)6•2(H2O) |
| 5.940(14.90) | 100 | 2.970(30.06) | 43 | 5.210(17.00) | 37 | Schertelite | (NH4)2MgH2(PO4)2•4(H2O) |
| 5.940(14.90) | 100 | 2.966(30.10) | 100 | 3.100(28.77) | 90 | Ferritungstite | (K,Ca,Na)(W++++++,Fe+++)2(O,OH)6•(H2O) |
| 5.943(14.89) | 100 | 3.233(27.57) | 100 | 3.067(29.09) | 60 | Paganoite | (Ni,Co)BiAsO5 |
| 5.943(14.89) | 100 | 4.816(18.41) | 65 | 3.169(28.14) | 44 | Ruifrancoite | Ca2([ ],Mn)2(Fe+++,Mn,Mg)4Be4(PO4)6(OH)4•6H2O |
| 5.943(14.89) | 100 | 3.169(28.14) | 65 | 9.485(9.32) | 44 | Ruifrancoite | Ca2([ ],Mn)2(Fe+++,Mn,Mg)4Be4(PO4)6(OH)4•6H2O |
| 5.950(14.88) | 100 | 3.010(29.65) | 90 | 6.460(13.70) | 80 | Paraumbite | K3Zr2HSi6O18•n(H2O) n=3 to 7 |
| 5.960(14.85) | 100 | 9.580(9.22) | 90 | 3.180(28.04) | 70 | Roscherite | Ca(Mn++,Fe++)5Be4(PO4)6(OH)4•6(H2O) |
| 5.970(14.83) | 100 | 6.110(14.48) | 80 | 3.090(28.87) | 70 | Nabesite | Na2BeSi4O10•4(H2O) |
| 5.970(14.83) | 4.330(20.49) | 4.210(21.08) | Kumdykolite | NaAlSi3O8 | |||
| 5.980(14.80) | 100 | 9.480(9.32) | 90 | 3.152(28.29) | 90 | Guimaraesite | Ca2(Zn,Mg,Fe)5Be4(PO4)6(OH)4•6H2O |
| 5.980(14.80) | 100 | 3.152(28.29) | 90 | 9.480(9.32) | 90 | Guimaraesite | Ca2(Zn,Mg,Fe)5Be4(PO4)6(OH)4•6H2O |
| 5.990(14.78) | 100 | 3.580(24.85) | 90 | 5.471(16.19) | 70 | Melanophlogite | SiO2•n(C,H,O,S) |
| 5.998(14.76) | 100 | 9.575(9.23) | 53 | 3.192(27.93) | 44 | Footemineite | Ca2Mn++Mn++2Mn++2Be4(PO4)6(OH)4•6H2O |
| 6.006(14.74) | 100 | 3.003(29.73) | 70 | 3.047(29.29) | 60 | Olmsteadite | KFe++2(Nb,Ta)(PO4)2O2•2(H2O) |
| 6.010(14.73) | 100 | 3.005(29.71) | 80 | 3.054(29.22) | 70 | Johnwalkite | K(Mn++,Fe+++,Fe++)2(Nb,Ta)(PO4)2O2((H2O),OH)2 |
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