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 36 Records, Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.6554 AND d1 < 3.8046)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.656(24.33) 200 5.970(14.83) 140 4.744(18.69) 120 Djerfisherite K6Na(Fe,Cu,Ni)25S26Cl
3.660(24.30) 200 5.620(15.76) 200 6.180(14.32) 200 Plombierite Ca5H2Si6O18·6H2O
3.660(24.30) 200 5.780(15.32) 180 3.320(26.83) 160 Heazlewoodite Ni3S2
3.664(24.27) 200 5.860(15.11) 180 6.160(14.37) 160 Betekhtinite Cu10(Fe,Pb)S6
3.668(24.24) 200 4.386(20.23) 200 6.522(13.57) 180 Chukhrovite-(Y) Ca3(Y,Ce)Al2(SO4)F13·10(H2O)
3.670(24.23) 200 4.756(18.64) 180 5.992(14.77) 180 Owensite (Ba,Pb)6(Cu,Fe,Ni)25S27
3.676(24.19) 200 2.344(38.37) 190 1.858(48.99) 180 Kalungaite PdAsSe
3.678(24.18) 200 15.340(5.76) 200 4.680(18.95) 180 Chlormagaluminite (Mg,Fe++)4Al2(OH)12(Cl2,CO3)·2(H2O)
3.684(24.14) 200 5.274(16.80) 180 5.138(17.24) 160 Zirsinalite Na6(Ca,Mn,Fe++)Zr[Si6O18]
3.688(24.11) 200 6.120(14.46) 160 3.778(23.53) 120 Luobusaite Fe0.83Si2
3.698(24.05) 200 6.180(14.32) 160 9.200(9.61) 160 Caledonite Pb5Cu2(CO3)(SO4)3(OH)6
3.700(24.03) 200 5.260(16.84) 160 5.380(16.46) 160 Glaucochroite CaMnSiO4
3.708(23.98) 200 5.654(15.66) 200 6.028(14.68) 200 Saryarkite-(Y) Ca(Y,Th)Al5(SiO4)2(PO4,SO4)2(OH)7·6(H2O)
3.712(23.95) 200 5.600(15.81) 200 7.000(12.64) 200 Plattnerite PbO2
3.716(23.93) 200 6.340(13.96) 200 4.036(22.01) 80 Argentopentlandite Ag(Fe,Ni)8S8
3.720(23.90) 200 5.500(16.10) 140 5.020(17.65) 120 Changchengite IrBiS
3.734(23.81) 200 6.890(12.84) 200 3.940(22.55) 180 Calciborite CaB2O4
3.734(23.81) 200 3.186(27.98) 198 5.284(16.76) 130 Plumbomicrolite (Pb,Ca,U)2Ta2O6(OH)
3.740(23.77) 200 6.080(14.56) 200 3.180(28.04) 100 Arsenosulvanite Cu3(As,V)S4
3.742(23.76) 200 3.928(22.62) 180 4.774(18.57) 180 Djurleite Cu31S16
3.748(23.72) 200 2.942(30.36) 138 4.730(18.74) 138 Brizziite-III NaSb+++++O3
3.748(23.72) 200 2.942(30.36) 138 4.730(18.74) 138 Brizziite-VII NaSb+++++O3
3.750(23.71) 200 5.860(15.11) 160 3.624(24.54) 140 Luberoite Pt5Se4
3.750(23.71) 200 6.396(13.83) 200 4.082(21.75) 162 Palladseite Pd17Se15
3.754(23.68) 200 3.918(22.68) 180 3.996(22.23) 160 Novakite (Cu,Ag)21As10
3.760(23.64) 200 3.949(22.50) 140 4.806(18.45) 140 Chalcocite Cu2S
3.772(23.57) 200 5.340(16.59) 200 15.140(5.83) 200 Borcarite Ca4MgB4O6(OH)6(CO3)2
3.774(23.55) 200 9.794(9.02) 200 4.684(18.93) 176 Zincalstibite Zn2AlSb(OH)12
3.780(23.52) 200 7.400(11.95) 160 6.360(13.91) 120 Gerasimovskite (Mn,Ca)(Nb,Ti)5O12·9(H2O) (?)
3.780(23.52) 200 3.660(24.30) 180 4.000(22.21) 180 Synchysite-(Y) CaY(CO3)2F
3.780(23.52) 200 6.560(13.49) 180 5.080(17.44) 120 Eglestonite Hg6Cl3O(OH) (?)
3.784(23.49) 200 7.580(11.66) 200 3.740(23.77) 160 Osarsite (Os,Ru)AsS
3.784(23.49) 200 3.960(22.43) 200 6.160(14.37) 200 Hypercinnabar HgS
3.798(23.40) 200 6.122(14.46) 110 5.534(16.00) 70 Yarrowite Cu9S8
3.800(23.39) 200 5.000(17.72) 200 5.200(17.04) 200 Hastite CoSe2
3.804(23.37) 200 6.670(13.26) 160 5.806(15.25) 150 Reinhardbraunsite Ca5(SiO4)2(OH,F)2

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