X-Ray Diffraction Table

X-Ray Diffraction Table

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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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Listing of 27 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 5.1646 AND d1 < 5.3754)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
5.170(17.14) 100 2.640(33.93) 90 2.630(34.06) 70 Ikaite CaCO3•6(H2O)
5.170(17.14) 100 5.040(17.58) 100 5.480(16.16) 80 Grandidierite (Mg,Fe++)Al3(BO4)(SiO4)O
5.170(17.14) 100 3.259(27.34) 58 2.840(31.47) 27 Pararsenolamprite As
5.180(17.10) 100 12.000(7.36) 60 2.907(30.73) 50 Zodacite Ca4Mn++Fe+++4(PO4)6(OH)4•12(H2O)
5.190(17.07) 100 4.310(20.59) 70 5.410(16.37) 70 Boralsilite Al16B6Si2O27
5.190(17.07) 100 5.410(16.37) 70 4.310(20.59) 70 Boralsilite Al16B6Si2O27
5.220(16.97) 100 2.230(40.41) 50 3.740(23.77) 40 Anyuiite Au(Pb,Sb)2
5.220(16.97) 100 2.955(30.22) 80 8.060(10.97) 60 Haidingerite Ca(AsO3OH)•(H2O)
5.220(16.97) 100 3.540(25.14) 80 4.380(20.26) 50 Metastudtite UO4•2(H2O)
5.230(16.94) 100 10.459(8.45) 82 3.486(25.53) 54 Christelite Zn3Cu2(SO4)2(OH)6•4(H2O)
5.230(16.94) 100 5.430(16.31) 80 4.980(17.80) 75 Werdingite (Mg,Fe)2Al14B4Si4O37
5.230(16.94) 100 3.020(29.55) 34 1.817(50.17) 31 Calciohilairite CaZrSi3O9•3(H2O)
5.230(16.94) 100 2.960(30.17) 90 3.590(24.78) 80 Komkovite BaZrSi3O9•3(H2O)
5.240(16.91) 100 8.840(1-) 60 3.251(27.41) 40 Ilinskite NaCu5O2(SeO3)2Cl
5.250(16.87) 100 4.350(20.40) 50 3.709(23.97) 40 Henmilite Ca2Cu[B(OH)4]2(OH)4
5.270(16.81) 100 5.990(14.78) 95 2.900(30.81) 70 Nasinite Na2B5O8(OH)•2(H2O)
5.280(16.78) 100 6.000(14.75) 60 3.170(28.13) 50 Hilairite Na2ZrSi3O9•3(H2O)
5.280(16.78) 100 3.310(26.91) 100 2.640(33.93) 100 Iraqite-(La) K(La,Ce,Th)2(Ca,Na)4(Si,Al)16O40
5.290(16.75) 100 8.940(9.89) 80 3.277(27.19) 40 Ferrostrunzite Fe++Fe+++2(PO4)2(OH)2•6(H2O)
5.290(16.75) 100 3.238(27.52) 100 3.329(26.76) 74 Litvinskite Na2([ ],Na,Mn)Zr[Si6O12(OH,O)6]
5.300(16.71) 100 2.700(33.15) 100 4.080(21.76) 55 Kermesite Sb2S2O
5.300(16.71) 100 2.659(33.68) 100 1.629(56.44) 100 Murdochite PbCu6O8-x(Cl,Br)2x
5.300(16.71) 100 3.110(28.68) 100 2.656(33.72) 100 Berborite Be2(BO3)(OH,F)•(H2O)
5.340(16.59) 100 8.870(9.96) 80 3.267(27.27) 40 Ferristrunzite Fe+++Fe+++2(PO4)2(OH)3•5(H2O)
5.340(16.59) 100 2.830(31.59) 90 7.370(12.00) 80 Euchroite Cu2(AsO4)(OH)•3(H2O)
5.370(16.49) 100 3.260(27.33) 80 3.394(26.24) 80 Narsarsukite Na2(Ti,Fe+++)Si4(O,F)11
5.370(16.49) 100 3.394(26.24) 80 3.260(27.33) 80 Narsarsukite Na2(Ti,Fe+++)Si4(O,F)11

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