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 31 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 5.2626 AND d1 < 5.4774)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
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 3.110(28.68) 100 2.656(33.72) 100 Berborite Be2(BO3)(OH,F)•(H2O)
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
5.340(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 3.394(26.24) 80 3.260(27.33) 80 Narsarsukite Na2(Ti,Fe+++)Si4(O,F)11
5.370(16.49) 100 3.260(27.33) 80 3.394(26.24) 80 Narsarsukite Na2(Ti,Fe+++)Si4(O,F)11
5.390(16.43) 100 2.310(38.96) 70 2.050(44.14) 50 Pinnoite MgB2O4•3(H2O)
5.390(16.43) 100 4.940(17.94) 90 3.350(26.59) 80 Chalcomenite CuSeO3•2(H2O)
5.400(16.40) 100 3.190(27.95) 90 2.730(32.78) 80 Realgar AsS
5.400(16.40) 100 1.910(47.57) 90 3.120(28.59) 50 Sulvanite Cu3VS4
5.400(16.40) 100 2.160(41.78) 50 4.760(18.63) 40 Vyalsovite FeS•Ca(OH)2•Al(OH)3
5.400(16.40) 100 5.000(17.72) 100 2.820(31.70) 100 Atacamite Cu2Cl(OH)3
5.400(16.40) 100 2.730(32.78) 90 2.940(30.38) 80 Realgar AsS
5.410(16.37) 100 1.860(48.93) 50 10.940(8.08) 40 Tochilinite 6Fe0.9S•5(Mg,Fe++)(OH)2
5.410(16.37) 100 2.320(38.78) 50 1.860(48.93) 40 Tochilinite 6Fe0.9S•5(Mg,Fe++)(OH)2
5.430(16.31) 100 3.300(27.00) 80 5.530(16.01) 50 Ammonioleucite (NH4,K)AlSi2O6
5.440(16.28) 100 2.720(32.90) 100 1.120(86.90) 100 Arsenolamprite As
5.440(16.28) 100 2.740(32.65) 80 2.760(32.41) 60 Paratacamite (Cu,Zn)2(OH)3Cl
5.440(16.28) 100 4.020(22.09) 14 2.637(33.97) 10 Eriochalcite CuCl2•2(H2O)
5.440(16.28) 100 2.270(39.67) 80 2.740(32.65) 60 Paratacamite (Cu,Zn)2(OH)3Cl
5.450(16.25) 100 4.360(20.35) 100 3.090(28.87) 90 Mansfieldite AlAsO4•2(H2O)
5.460(16.22) 100 4.470(19.85) 100 6.850(12.91) 80 Boyleite (Zn,Mg)SO4•4(H2O)
5.463(16.21) 100 2.755(32.47) 69 2.257(39.91) 39 Gillardite Cu3NiCl2(OH)6
5.470(16.19) 100 2.742(32.63) 70 2.767(32.33) 60 Clinoatacamite Cu2(OH)3Cl
5.470(16.19) 100 1.725(53.04) 85 1.775(51.44) 78 Rosenbergite AlF3•3(H2O)

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