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 54 Records, Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.99448 AND d1 < 4.15752)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
4.000(22.21) 200 6.760(13.09) 200 6.800(13.01) 200 Ardaite Pb19Sb13S35Cl7
4.000(22.21) 200 3.840(23.14) 160 3.880(22.90) 160 Xifengite Fe5Si3
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 3.812(23.32) 120 3.632(24.49) 40 Melliniite (Ni,Fe)4P
4.010(22.15) 200 2.320(38.78) 60 2.820(31.70) 20 Suessite (Fe,Ni)3Si
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 5.960(14.85) 150 6.660(13.28) 140 Aurostibite AuSb2
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 4.640(19.11) 180 2.848(31.38) 100 Griceite LiF
4.020(22.09) 200 4.120(21.55) 140 4.760(18.63) 130 Cohenite (Fe,Ni,Co)3C
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) 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 6.640(13.32) 180 3.452(25.79) 160 Berzelianite Cu2Se
4.040(21.98)
-
4.700(18.87)
-
5.660(15.64)
-
Tertschite Ca4B10O19·20(H2O)
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 5.620(15.76) 140 6.220(14.23) 140 Korzhinskite CaB2O4·(H2O)
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 3.934(22.58) 120 2.870(31.14) 60 Kamacite alpha-(Fe,Ni)
4.060(21.87) 200 5.720(15.48) 140 7.040(12.56) 120 Vulcanite CuTe
4.060(21.87) 200 5.700(15.53) 200 7.080(12.49) 160 Thorbastnasite Th(Ca,Ce)(CO3)2F2·3(H2O)
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 2.340(38.44) 180 1.540(60.02) 160 Ferchromide Cr3Fe1-x(x=0,6)
4.080(21.76) 200 10.200(8.66) 200 20.200(4.37) 120 Uranocircite Ba(UO2)2(PO4)2·12(H2O)
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 2.694(33.23) 160 4.380(20.26) 140 Jedwabite Fe7(Ta,Nb)3
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 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
4.112(21.59) 200 4.686(18.92) 80 4.284(20.72) 70 Ruthenium (Ru,Ir,Os)
4.114(21.58) 200 5.270(16.81) 180 5.932(14.92) 180 Pyrrhotite Fe(1-x)S (x=0-0.17)
4.116(21.57) 200 6.088(14.54) 140 5.440(16.28) 100 Boracite Mg3B7O13Cl
4.120(21.55) 200 4.380(20.26) 200 2.520(35.60) 150 Lonsdaleite C
4.120(21.55) 200 3.440(25.88) 150 5.280(16.78) 150 Heideite (Fe,Cr)1+x(Ti,Fe)2S4
4.120(21.55) 200 7.520(11.76) 160 4.658(19.04) 120 Aerugite ([ ],Ni)9(AsO4)2(AsO6) (?)
4.120(21.55) 200 2.522(35.57) 50 2.151(41.97) 32 Diamond C
4.120(21.55) 200 6.760(13.09) 160 3.526(25.24) 140 Bellidoite Cu2Se
4.120(21.55) 200 3.560(24.99) 60 2.520(35.60) 40 Awaruite Ni2Fe to Ni3Fe
4.120(21.55) 200 8.720(10.14) 200 6.080(14.56) 200 Zemkorite (Na,K)2Ca(CO3)2
4.122(21.54) 200 5.392(16.43) 140 4.248(20.89) 100 Ruthenarsenite (Ru,Ni)As
4.122(21.54) 200 4.674(18.97) 182 4.378(20.27) 122 Bromellite BeO
4.130(21.50) 200 6.006(14.74) 180 6.652(13.30) 180 Itoite Pb3[GeO2(OH)2](SO4)2
4.136(21.47) 200 2.926(30.53) 160 4.788(18.52) 160 Carlsbergite CrN
4.140(21.45) 200 6.380(13.87) 200 7.000(12.64) 200 Banalsite BaNa2Al4Si4O16
4.140(21.45) 200 6.680(13.24) 160 5.700(15.53) 160 Vurroite Pb20Sn2(Bi,As)22S54Cl6
4.140(21.45) 200 5.120(17.31) 100 5.640(15.70) 80 Cuprostibite Cu2(Sb,Tl)
4.140(21.45) 200 6.720(13.16) 120 3.976(22.34) 80 Rickardite Cu7Te5
4.144(21.42) 200 3.586(24.81) 170 3.608(24.65) 166 Sugakiite Cu(Fe,Ni)8S8
4.152(21.38) 200 5.716(15.49) 140 9.700(9.11) 130 Shomiokite-(Y) Na3Y(CO3)3·3(H2O)
4.156(21.36) 200 4.518(19.63) 200 5.404(16.39) 180 Kutinaite Cu14Ag6As7

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