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 60 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 1.97666 AND d1 < 2.05734)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
1.977(45.86) 100 1.924(47.20) 100 2.150(41.99) 65 Perryite (Ni,Fe)8(Si,P)3
1.977(45.86) 100 1.918(47.36) 100 2.110(42.82) 40 Orcelite Ni5-xAs2 (x=0.23)
1.980(45.79) 100 1.892(48.05) 100 3.080(28.97) 100 Hypercinnabar HgS
1.982(45.74) 100 2.917(30.62) 90 2.846(31.41) 60 Larosite (Cu,Ag)21(Pb,Bi)2S13
1.988(45.59) 100 2.650(33.80) 100 2.190(41.19) 70 Majakite PdNiAs
1.989(45.57) 100 2.110(42.82) 40 2.250(40.04) 20 Algodonite Cu6As
1.990(45.55) 100 2.435(36.88) 100 1.420(65.70) 60 Surinamite (Mg,Fe++)3Al4BeSi3O16
1.990(45.55) 100 2.700(33.15) 80 2.960(30.17) 80 Insizwaite Pt(Bi,Sb)2
1.990(45.55) 100 2.960(30.17) 80 2.700(33.15) 80 Insizwaite Pt(Bi,Sb)2
1.991(45.52) 100 1.196(80.19) 100 1.817(50.17) 90 Fersilicite FeSi
2.000(45.30) 100 3.400(26.19) 100 3.380(26.35) 100 Ardaite Pb19Sb13S35Cl7
2.000(45.30)
-
2.831(31.58)
-
1.631(56.36)
-
Hapkeite Fe2Si
2.000(45.30) 100 1.940(46.79) 80 1.920(47.30) 80 Xifengite Fe5Si3
2.000(45.30) 100 1.920(47.30) 80 1.940(46.79) 80 Xifengite Fe5Si3
2.000(45.30) 100 3.380(26.35) 100 3.400(26.19) 100 Ardaite Pb19Sb13S35Cl7
2.001(45.28) 100 2.044(44.28) 90 2.089(43.27) 80 Koutekite Cu5As2
2.003(45.23) 100 2.970(30.06) 100 1.778(51.35) 80 Michenerite (Pd,Pt)BiTe
2.005(45.19) 100 1.160(83.22) 30 1.410(66.23) 10 Suessite (Fe,Ni)3Si
2.005(45.19) 100 1.906(47.67) 60 1.816(50.20) 20 Melliniite (Ni,Fe)4P
2.006(45.16) 100 4.232(20.97) 100 2.362(38.07) 100 Khaidarkanite Na0.34Cu4Al3(OH)14F3•2(H2O)
2.006(45.16) 100 2.362(38.07) 100 4.232(20.97) 100 Khaidarkanite Na0.34Cu4Al3(OH)14F3•2(H2O)
2.010(45.07) 100 1.713(53.44) 100 2.690(33.28) 90 Maucherite Ni11As8
2.010(45.07) 100 2.980(29.96) 75 3.330(26.75) 70 Aurostibite AuSb2
2.010(45.07) 100 2.791(32.04) 50 2.508(35.77) 40 Sheldrickite NaCa3(CO3)2F3•(H2O)
2.010(45.07) 100 2.320(38.78) 90 1.424(65.49) 50 Griceite LiF
2.010(45.07) 100 2.060(43.92) 70 2.380(37.77) 65 Cohenite (Fe,Ni,Co)3C
2.017(44.90) 100 3.110(28.68) 100 2.786(32.10) 80 Bariosincosite Ba(V++++O)2(PO4)2•4(H2O)
2.020(44.83) 100 2.350(38.27) 100 2.090(43.25) 100 Calcioancylite-(Ce) CaCe(CO3)2(OH)•(H2O)
2.020(44.83) 100 3.110(28.68) 70 2.810(31.82) 70 Korzhinskite CaB2O4•(H2O)
2.020(44.83) 100 3.040(29.36) 100 2.850(31.36) 100 Marianoite Na2Ca4(Nb,Zr)2(Si2O7)2(O,F)4
2.020(44.83) 100 1.160(83.22) 100 1.430(65.18) 80 Chromferide Fe3Cr1-x (x=0,6)
2.020(44.83) 100 2.090(43.25) 100 2.350(38.27) 100 Calcioancylite-(Ce) CaCe(CO3)2(OH)•(H2O)
2.020(44.83)
-
2.350(38.27)
-
2.830(31.59)
-
Tertschite Ca4B10O19•20(H2O)
2.020(44.83) 100 2.810(31.82) 70 3.110(28.68) 70 Korzhinskite CaB2O4•(H2O)
2.020(44.83) 100 2.850(31.36) 100 3.040(29.36) 100 Marianoite Na2Ca4(Nb,Zr)2(Si2O7)2(O,F)4
2.020(44.83) 100 3.320(26.83) 90 1.726(53.01) 80 Berzelianite Cu2Se
2.020(44.83) 100 1.800(50.67) 100 2.700(33.15) 100 Wilkmanite Ni3Se4
2.023(44.76) 100 2.863(31.22) 100 3.530(25.21) 50 Mummeite Cu0.58Ag3.11Pb1.10Bi6.65S13
2.027(44.67) 100 1.170(82.35) 30 1.433(65.03) 20 Iron Fe
2.030(44.60) 100 2.850(31.36) 100 3.540(25.14) 80 Thorbastnasite Th(Ca,Ce)(CO3)2F2•3(H2O)
2.030(44.60) 100 1.967(46.11) 60 1.435(64.93) 30 Kamacite alpha-(Fe,Ni)
2.030(44.60) 100 2.860(31.25) 70 3.520(25.28) 60 Vulcanite CuTe
2.034(44.51) 100 1.762(51.85) 42 1.246(76.37) 21 Nickel Ni
2.038(44.41) 100 1.861(48.90) 50 1.218(78.46) 24 Brownleeite MnSi
2.039(44.39) 100 1.177(81.75) 30 0.912(115.26) 20 Chromium Cr
2.040(44.37) 100 1.170(82.35) 90 0.770( <90 ) 80 Ferchromide Cr3Fe1-x(x=0,6)
2.040(44.37) 100 5.100(17.37) 100 10.100(8.75) 60 Uranocircite Ba(UO2)2(PO4)2•12(H2O)
2.044(44.28) 100 1.972(45.98) 67 2.258(39.89) 44 Mavlyanovite Mn5Si3
2.046(44.23) 100 2.330(38.61) 50 1.216(78.61) 40 IMA2008-055 (Ni,Fe,Ir)
2.046(44.23) 100 1.216(78.61) 50 1.347(69.76) 40 IMA2008-055 (Ni,Fe,Ir)
2.050(44.14) 100 1.888(48.16) 70 1.965(46.16) 50 Domeykite Cu3As
2.050(44.14) 100 3.470(25.65) 100 3.090(28.87) 100 Sulfoborite Mg3B2(SO4)(OH)8(OH,F)2
2.050(44.14) 100 1.486(62.44) 100 2.150(41.99) 100 Niggliite PtSn
2.050(44.14) 100 1.066(92.54) 100 9.630(9.18) 100 Freboldite CoSe
2.050(44.14) 100 1.347(69.76) 80 2.190(41.19) 70 Jedwabite Fe7(Ta,Nb)3
2.050(44.14) 100 2.170(41.58) 50 2.380(37.77) 30 Isovite (Cr,Fe)23C6
2.050(44.14) 100 3.090(28.87) 100 3.470(25.65) 100 Sulfoborite Mg3B2(SO4)(OH)8(OH,F)2
2.056(44.01) 100 2.343(38.39) 40 2.142(42.15) 35 Ruthenium (Ru,Ir,Os)
2.057(43.98) 100 2.635(33.99) 90 2.966(30.10) 90 Pyrrhotite Fe(1-x)S (x=0-0.17)
2.057(43.98) 100 2.966(30.10) 90 2.635(33.99) 90 Pyrrhotite Fe(1-x)S (x=0-0.17)

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