Mineralogy Database

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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Found 40 Records, Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.9396 AND d1 < 4.1004)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.946(22.51) 200 5.580(15.87) 80 6.420(13.78) 80 Digenite Cu9S5
3.952(22.48) 200 2.594(34.55) 120 4.174(21.27) 120 Hexaferrum (Fe,Os,Ru,Ir)
3.964(22.41) 200 5.834(15.17) 180 5.692(15.56) 120 Larosite (Cu,Ag)21(Pb,Bi)2S13
3.976(22.34) 200 5.300(16.71) 200 4.380(20.26) 140 Majakite PdNiAs
3.978(22.33) 200 4.220(21.03) 80 4.500(19.71) 40 Algodonite Cu6As
3.980(22.32) 200 4.870(18.20) 200 2.840(31.47) 120 Surinamite (Mg,Fe++)3Al4BeSi3O16
3.980(22.32) 200 5.400(16.40) 160 5.920(14.95) 160 Insizwaite Pt(Bi,Sb)2
4.000(22.21) 200 3.840(23.14) 160 3.880(22.90) 160 Xifengite Fe5Si3
4.000(22.21) 200 6.760(13.09) 200 6.800(13.01) 200 Ardaite Pb19Sb13S35Cl7
4.002(22.19) 200 4.088(21.72) 180 4.178(21.25) 160 Koutekite Cu5As2
4.006(22.17) 200 5.940(14.90) 200 3.556(25.02) 160 Michenerite (Pd,Pt)BiTe
4.010(22.15) 200 2.320(38.78) 60 2.820(31.70) 20 Suessite (Fe,Ni)3Si
4.010(22.15) 200 3.812(23.32) 120 3.632(24.49) 40 Melliniite (Ni,Fe)4P
4.012(22.14) 200 4.724(18.77) 200 8.464(10.44) 200 Khaidarkanite Na0.34Cu4Al3(OH)14F3·2(H2O)
4.020(22.09) 200 4.120(21.55) 140 4.760(18.63) 130 Cohenite (Fe,Ni,Co)3C
4.020(22.09) 200 4.640(19.11) 180 2.848(31.38) 100 Griceite LiF
4.020(22.09) 200 5.582(15.86) 100 5.016(17.67) 80 Sheldrickite NaCa3(CO3)2F3·(H2O)
4.020(22.09) 200 5.960(14.85) 150 6.660(13.28) 140 Aurostibite AuSb2
4.034(22.02) 200 6.220(14.23) 200 5.572(15.89) 160 Bariosincosite Ba(V++++O)2(PO4)2·4(H2O)
4.040(21.98)
-
4.700(18.87)
-
5.660(15.64)
-
Tertschite Ca4B10O19·20(H2O)
4.040(21.98) 200 5.620(15.76) 140 6.220(14.23) 140 Korzhinskite CaB2O4·(H2O)
4.040(21.98) 200 5.700(15.53) 200 6.080(14.56) 200 Marianoite Na2Ca4(Nb,Zr)2(Si2O7)2(O,F)4
4.040(21.98) 200 4.180(21.24) 200 4.700(18.87) 200 Calcioancylite-(Ce) CaCe(CO3)2(OH)·(H2O)
4.040(21.98) 200 6.640(13.32) 180 3.452(25.79) 160 Berzelianite Cu2Se
4.046(21.95) 200 5.726(15.46) 200 7.060(12.53) 100 Mummeite Cu0.58Ag3.11Pb1.10Bi6.65S13
4.054(21.91) 200 2.340(38.44) 60 2.866(31.18) 40 Iron Fe
4.060(21.87) 200 5.700(15.53) 200 7.080(12.49) 160 Thorbastnasite Th(Ca,Ce)(CO3)2F2·3(H2O)
4.060(21.87) 200 5.720(15.48) 140 7.040(12.56) 120 Vulcanite CuTe
4.060(21.87) 200 3.934(22.58) 120 2.870(31.14) 60 Kamacite alpha-(Fe,Ni)
4.068(21.83) 200 3.524(25.25) 84 2.492(36.01) 42 Nickel Ni
4.076(21.79) 200 3.722(23.89) 100 2.436(36.87) 48 Brownleeite MnSi
4.078(21.78) 200 2.354(38.20) 60 1.824(49.96) 40 Chromium Cr
4.080(21.76) 200 10.200(8.66) 200 20.200(4.37) 120 Uranocircite Ba(UO2)2(PO4)2·12(H2O)
4.080(21.76) 200 2.340(38.44) 180 1.540(60.02) 160 Ferchromide Cr3Fe1-x(x=0,6)
4.088(21.72) 200 3.944(22.52) 134 4.516(19.64) 88 Mavlyanovite Mn5Si3
4.092(21.70) 200 4.660(19.03) 100 2.432(36.93) 80 IMA2008-055 (Ni,Fe,Ir)
4.100(21.66) 200 4.340(20.45) 100 4.760(18.63) 60 Isovite (Cr,Fe)23C6
4.100(21.66) 200 3.776(23.54) 140 3.930(22.61) 100 Domeykite Cu3As
4.100(21.66) 200 6.180(14.32) 200 6.940(12.74) 200 Sulfoborite Mg3B2(SO4)(OH)8(OH,F)2
4.100(21.66) 200 2.694(33.23) 160 4.380(20.26) 140 Jedwabite Fe7(Ta,Nb)3

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