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 48 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 5.38608 AND d1 < 5.60592)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
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 2.730(32.78) 90 2.940(30.38) 80 Realgar AsS
5.400(16.40) 100 5.000(17.72) 100 2.820(31.70) 100 Atacamite Cu2Cl(OH)3
5.400(16.40) 100 3.190(27.95) 90 2.730(32.78) 80 Realgar AsS
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 1.910(47.57) 90 3.120(28.59) 50 Sulvanite Cu3VS4
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 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
5.440(16.28) 100 2.740(32.65) 80 2.760(32.41) 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 1.725(53.04) 85 1.775(51.44) 78 Rosenbergite AlF3•3(H2O)
5.470(16.19) 100 2.742(32.63) 70 2.767(32.33) 60 Clinoatacamite Cu2(OH)3Cl
5.480(16.16) 100 8.520(10.37) 70 3.840(23.14) 60 Coskrenite-(Ce) (Ce,Nd,La)2(SO4)2(C2O4)•8(H2O)
5.480(16.16) 100 3.840(23.14) 70 6.720(13.16) 60 Coskrenite-(Ce) (Ce,Nd,La)2(SO4)2(C2O4)•8(H2O)
5.490(16.13) 100 3.210(27.77) 75 3.260(27.33) 60 Mirabilite Na2SO4•10(H2O)
5.496(16.11) 100 11.020(8.02) 90 4.079(21.77) 50 Niedermayrite Cu4Cd(SO4)2(OH)6•4(H2O)
5.500(16.10) 100 8.760(10.09) 100 7.310(12.10) 90 Swartzite CaMg(UO2)(CO3)3•12(H2O)
5.500(16.10) 100 4.670(18.99) 100 5.100(17.37) 80 Pascoite Ca3V10O28•17(H2O)
5.500(16.10) 100 6.090(14.53) 90 5.200(17.04) 70 Refikite C19H31COOH
5.502(16.10) 100 8.199(10.78) 100 2.883(30.99) 80 Bobkingite Cu5Cl2(OH)8(H2O)2
5.507(16.08) 100 3.314(26.88) 100 2.292(39.28) 100 Diaboleite Pb2CuCl2(OH)4
5.520(16.04) 100 2.834(31.54)
-
7.920(11.16)
-
Caoxite Ca(C2O4)•3(H2O)
5.521(16.04) 100 2.389(37.62) 90 2.885(30.97) 90 Tarkianite (Cu,Fe)(Re,Mo)4S8
5.521(16.04) 100 2.389(37.62) 90 1.841(49.47) 90 Tarkianite (Cu,Fe)(Re,Mo)4S8
5.521(16.04) 100 1.841(49.47) 90 2.389(37.62) 90 Tarkianite (Cu,Fe)(Re,Mo)4S8
5.530(16.01) 100 2.762(32.39) 70 4.228(20.99) 60 Rokuhnite Fe++Cl2•(H2O)
5.530(16.01) 100 5.060(17.51) 100 7.000(12.64) 60 Dinite C20H36
5.540(15.98) 100 10.380(8.51) 34 6.590(13.42) 33 Hartite C20H34
5.540(15.98) 100 4.530(19.58) 90 2.770(32.29) 90 Andalusite Al2SiO5 = Al[6]Al[5]OSiO4
5.540(15.98) 100 2.770(32.29) 90 4.530(19.58) 90 Andalusite Al2SiO5 = Al[6]Al[5]OSiO4
5.550(15.96) 100 7.740(11.42) 90 6.880(12.86) 80 Roubaultite Cu2(UO2)3(CO3)2O2(OH)2•4(H2O)
5.553(15.95) 100 2.758(32.44) 52 2.785(32.11) 52 Belloite Cu(OH)Cl
5.553(15.95) 100 2.785(32.11) 52 2.758(32.44) 52 Belloite Cu(OH)Cl
5.560(15.93) 100 5.030(17.62) 100 9.460(9.34) 100 Chabazite-K (K2,Ca,Na2,Mg)[Al2Si4O12]•6(H2O)
5.560(15.93) 100 5.030(17.62) 100 9.460(9.34) 100 Chabazite-Na (Na2,K2,Ca,Mg)[Al2Si4O12]•6(H2O)
5.590(15.84) 100 5.490(16.13) 40 2.924(30.55) 40 Nickelbischofite NiCl2•6(H2O)
5.590(15.84) 100 3.080(28.97) 80 2.540(35.31) 80 Bandylite CuB(OH)4Cl
5.590(15.84) 100 2.540(35.31) 80 3.080(28.97) 80 Bandylite CuB(OH)4Cl
5.590(15.84) 100 2.924(30.55) 40 5.490(16.13) 40 Nickelbischofite NiCl2•6(H2O)
5.600(15.81) 100 14.900(5.93) 100 3.299(27.01) 80 Szymanskiite Hg+16(Ni,Mg)6(H3O)8(CO3)12•3(H2O)
5.600(15.81) 100 3.380(26.35) 100 6.800(13.01) 60 Minyulite KAl2(PO4)2(OH,F)•4(H2O)

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