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 32 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 6.3406 AND d1 < 6.5994)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
6.350(13.93) 100 3.240(27.51) 60 3.167(28.15) 40 Gaultite Na4Zn2Si7O18•5(H2O)
6.350(13.93) 100 3.210(27.77) 100 2.621(34.18) 55 Iriginite (UO2)(Mo++++++2O7)•3(H2O)
6.389(13.85) 100 3.193(27.92) 45 2.879(31.04) 20 Ulrichite CaCu(UO2)(PO4)2•4(H2O)
6.390(13.85) 100 3.720(23.90) 40 4.580(19.36) 20 Ewaldite (Ba,Sr)(Ca,Na,Y,Ce)(CO3)2
6.390(13.85) 100 3.194(27.91) 100 3.050(29.26) 80 Lepkhenelmite-Zn Ba2Zn(Ti,Nb)4(Si4O12)2(O,OH)4•7(H2O)
6.395(13.84) 100 3.434(25.92) 80 12.803(6.90) 50 Graemite CuTeO3•(H2O)
6.400(13.83) 100 6.100(14.51) 50 4.720(18.78) 50 Aksaite MgB6O7(OH)6•2(H2O)
6.400(13.83) 100 4.720(18.78) 50 6.100(14.51) 50 Aksaite MgB6O7(OH)6•2(H2O)
6.420(13.78) 100 7.280(12.15) 100 4.000(22.21) 80 Camgasite CaMg(AsO4)(OH)•5(H2O)
6.428(13.76) 100 3.217(27.71) 70 2.600(34.47) 60 Jensenite Cu++3Te++++++O6•2(H2O)
6.445(13.73) 100 9.002(9.82) 30 8.214(10.76) 26 Simonellite C19H24
6.470(13.68) 100 8.310(10.64) 100 4.970(17.83) 25 Meyerhofferite Ca2B6O6(OH)10•2(H2O)
6.480(13.65) 100 8.490(10.41) 80 3.054(29.22) 60 Kamotoite-(Y) (Y,Nd,Gd)2U++++++4(CO3)3O12•14.5(H2O)
6.480(13.65) 100 3.240(27.51) 70 3.090(28.87) 60 Fluellite Al2(PO4)F2(OH)•7(H2O)
6.480(13.65) 100 3.042(29.34) 80 2.822(31.68) 70 Fingerite Cu11(VO4)6O2
6.500(13.61) 100 3.860(23.02) 90 2.610(34.33) 70 Nesquehonite Mg(HCO3)(OH)•2(H2O)
6.500(13.61) 100 4.360(20.35) 80 6.300(14.05) 50 Macdonaldite BaCa4[Si16O36(OH)2]•10(H2O)
6.520(13.57) 100 2.764(32.36) 100 3.290(27.08) 80 Kainosite-(Y) Ca2(Y,Ce)2Si4O12(CO3)•(H2O)
6.520(13.57) 100 4.050(21.93) 40 3.255(27.38) 40 Wooldridgeite Na2CaCu++2(P2O7)2•10(H2O)
6.520(13.57) 100 2.530(35.45) 80 2.900(30.81) 60 Murunskite K2Cu3FeS4
6.520(13.57) 100 3.255(27.38) 40 4.050(21.93) 40 Wooldridgeite Na2CaCu++2(P2O7)2•10(H2O)
6.520(13.57) 100 6.030(14.68) 80 3.005(29.71) 50 Liroconite Cu2Al(AsO4)(OH)4•4(H2O)
6.525(13.56) 100 3.539(25.14) 80 4.387(20.23) 60 Delrioite CaSrV2O6(OH)2•3(H2O)
6.530(13.55) 100 9.930(8.90) 95 4.240(20.93) 55 Stercorite H(NH4)Na(PO4)•4(H2O)
6.539(13.53) 100 3.169(28.14) 90 7.040(12.56) 80 Wheatleyite Na2Cu(C2O4)2•2(H2O)
6.540(13.53) 100 3.270(27.25) 50 4.780(18.55) 40 Calkinsite-(Ce) (Ce,La)2(CO3)3•4(H2O)
6.550(13.51) 100 4.390(20.21) 45 5.900(15.00) 35 Rhodesite KHCa2Si8O19•5(H2O)
6.550(13.51) 100 3.420(26.03) 80 3.230(27.59) 70 Tombarthite-(Y) Y4(Si,H4)4O12-x(OH)4+2x
6.560(13.49) 100 3.120(28.59) 70 3.530(25.21) 50 Carnotite K2(UO2)2V2O8•3(H2O)
6.570(13.47) 100 3.283(27.14) 55 4.000(22.21) 50 Montroyalite Sr4Al8(CO3)3(OH,F)26•10-11(H2O)
6.570(13.47) 100 5.135(17.25) 30 6.970(12.69) 25 Tunellite SrB6O9(OH)2•3(H2O)
6.580(13.45) 100 2.980(29.96) 30 3.180(28.04) 26 Annabergite Ni3(AsO4)2•8(H2O)

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