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 50 Records, Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 4.05426 AND d1 < 4.21974)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
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)
4.060(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 2.694(33.23) 160 4.380(20.26) 140 Jedwabite Fe7(Ta,Nb)3
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
4.112(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 3.440(25.88) 150 5.280(16.78) 150 Heideite (Fe,Cr)1+x(Ti,Fe)2S4
4.120(21.55) 200 2.522(35.57) 50 2.151(41.97) 32 Diamond C
4.120(21.55) 200 8.720(10.14) 200 6.080(14.56) 200 Zemkorite (Na,K)2Ca(CO3)2
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 4.380(20.26) 200 2.520(35.60) 150 Lonsdaleite 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
4.122(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 5.120(17.31) 100 5.640(15.70) 80 Cuprostibite Cu2(Sb,Tl)
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 6.720(13.16) 120 3.976(22.34) 80 Rickardite Cu7Te5
4.140(21.45) 200 6.380(13.87) 200 7.000(12.64) 200 Banalsite BaNa2Al4Si4O16
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
4.160(21.34) 200 2.160(41.78) 160 3.600(24.71) 160 Taenite gamma-(Fe,Ni)
4.161(21.34) 200 2.746(32.58) 80 4.315(20.57) 80 Danbaite CuZn2
4.170(21.29) 200 5.104(17.36) 180 3.202(27.84) 160 Corundum Al2O3
4.176(21.26) 200 3.616(24.60) 92 2.556(35.08) 40 Copper Cu
4.176(21.26) 200 4.820(18.39) 182 2.952(30.25) 114 Bunsenite NiO
4.178(21.25) 200 2.402(37.41) 160 2.088(43.30) 120 Zhanghengite (Cu,Zn,Fe,Al,Cr)
4.180(21.24) 200 4.020(22.09) 140 7.220(12.25) 140 Weissite Cu1.9Te
4.180(21.24) 200 5.860(15.11) 160 5.960(14.85) 160 Montbrayite (Au,Sb)2Te3
4.180(21.24) 200 5.320(16.65) 120 3.440(25.88) 100 Troilite FeS
4.182(21.23) 200 4.946(17.92) 106 4.616(19.21) 80 Zinc Zn
4.192(21.18) 200 3.330(26.75) 160 12.220(7.23) 160 Edgarite FeNb2S6
4.196(21.16) 200 4.432(20.02) 52 4.764(18.61) 48 Hexamolybdenum (Mo,Ru,Fe,Ir,Os)
4.200(21.14) 200 4.306(20.61) 160 3.630(24.50) 140 Tongxinite Cu2Zn
4.210(21.08) 200 4.452(19.93) 68 4.776(18.56) 64 Rhenium Re
4.212(21.07) 200 2.978(29.98) 104 2.432(36.93) 24 Periclase MgO

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