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 34 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 1.6562 AND d1 < 1.7238)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
1.667(55.04) 100 2.539(35.32) 90 2.790(32.05) 80 Kimzeyite Ca3(Zr,Ti)2(Si,Al,Fe+++)3O12
1.670(54.94) 100 1.420(65.70) 60 2.160(41.78) 60 Kleberite FeTi6O13•4(H2O) (?)
1.670(54.94) 100 2.670(33.54) 97 3.630(24.50) 96 Eskolaite Cr2O3
1.670(54.94) 100 2.160(41.78) 60 1.420(65.70) 60 Kleberite FeTi6O13•4(H2O) (?)
1.672(54.86) 100 2.440(36.80) 100 1.900(47.83) 100 Malyshevite PdCuBiS3
1.672(54.86) 100 2.440(36.80) 100 3.770(23.58) 100 Malyshevite PdCuBiS3
1.672(54.86) 100 1.900(47.83) 100 2.440(36.80) 100 Malyshevite PdCuBiS3
1.674(54.79) 100 2.360(38.10) 90 2.850(31.36) 90 Polydymite NiNi2S4
1.674(54.79) 100 2.850(31.36) 90 2.360(38.10) 90 Polydymite NiNi2S4
1.680(54.58) 100 2.590(34.60) 100 2.770(32.29) 80 Cobaltite CoAsS
1.680(54.58) 100 1.830(49.79) 60 2.870(31.14) 50 Fletcherite Cu(Ni,Co)2S4
1.680(54.58) 100 2.790(32.05) 96 1.970(46.03) 52 Bravoite (Fe,Ni,Co)S2
1.683(54.48) 100 2.580(34.74) 100 2.820(31.70) 90 Yafsoanite Ca3Te2Zn3O12
1.686(54.37) 100 2.481(36.18) 80 2.183(41.32) 70 Pseudorutile Fe+++2Ti3O9
1.688(54.30) 100 1.511(61.30) 60 2.673(33.50) 60 Schallerite Mn++16[As+++O2OH][Si12O30](OH)14
1.688(54.30) 100 2.673(33.50) 60 1.511(61.30) 60 Schallerite Mn++16[As+++O2OH][Si12O30](OH)14
1.690(54.23) 100 3.210(27.77) 80 2.480(36.19) 60 Belyankinite Ca1-2(Ti,Zr,Nb)5O12•9(H2O) (?)
1.690(54.23) 100 1.700(53.89) 100 1.435(64.93) 90 Davidite-(Ce) (Ce,La)(Y,U)(Ti,Fe+++)20O38
1.692(54.16) 40 3.210(27.77) 30 2.890(30.92) 20 Manganbelyankinite (Mn,Ca)(Ti,Nb)5O12•9(H2O)
1.692(54.16) 40 2.480(36.19) 30 3.210(27.77) 20 Manganbelyankinite (Mn,Ca)(Ti,Nb)5O12•9(H2O)
1.694(54.09) 100 3.258(27.35) 80 2.985(29.91) 70 Yttrobetafite-(Y) (Y,U,Ce)2(Ti,Nb,Ta)2O6(OH)
1.695(54.06) 100 3.250(27.42) 80 2.810(31.82) 70 Laurite RuS2
1.700(53.89) 100 1.690(54.23) 100 1.435(64.93) 90 Davidite-(Ce) (Ce,La)(Y,U)(Ti,Fe+++)20O38
1.703(53.78) 100 2.579(34.76) 90 2.707(33.06) 88 Tistarite Ti2O3
1.707(53.65) 100 3.280(27.16) 100 2.520(35.60) 90 Struverite (Ti,Ta,Fe+++)O2
1.710(53.55) 100 3.729(23.84) 90 2.709(33.04) 70 Natanite Fe++Sn++++(OH)6
1.713(53.44) 100 2.244(40.15) 88 2.748(32.56) 65 IMA2008-060 Mg2(BO3)(OH)
1.713(53.44) 100 2.010(45.07) 100 2.690(33.28) 90 Maucherite Ni11As8
1.717(53.31) 50 1.633(56.29) 50 1.379(67.92) 50 Oxyvanite V3O5
1.720(53.21) 100 3.260(27.33) 90 2.550(35.16) 80 Ordonezite ZnSb2O6
1.720(53.21) 100 4.230(20.98) 100 2.456(36.56) 100 Hisingerite Fe+++2Si2O5(OH)4•2(H2O)
1.720(53.21) 100 2.090(43.25) 90 2.920(30.59) 50 Gagarinite-(Y) NaCaY(F,Cl)6
1.720(53.21) 100 2.456(36.56) 100 4.230(20.98) 100 Hisingerite Fe+++2Si2O5(OH)4•2(H2O)
1.720(53.21) 100 2.920(30.59) 90 3.000(29.76) 50 Gagarinite-(Y) NaCaY(F,Cl)6

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