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 51 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 5.6301 AND d1 < 5.8599)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
5.650(15.67) 100 7.296(12.12) 75 5.926(14.94) 70 Ceruleite Cu2Al7(AsO4)4(OH)13•12(H2O)
5.660(15.64) 100 3.260(27.33) 100 5.010(17.69) 90 Inderite MgB3O3(OH)5•5(H2O)
5.660(15.64) 100 3.760(23.64) 100 14.300(6.18) 100 Faujasite-Ca (Ca,Na2,Mg)3.5[Al7Si17O48]•32(H2O)
5.660(15.64) 100 3.760(23.64) 100 14.300(6.18) 100 Faujasite-Mg (Mg,Na2,Ca)3.5[Al7Si17O48]•32(H2O)
5.660(15.64) 100 5.020(17.65) 45 2.590(34.60) 45 Magnesiocarpholite MgAl2Si2O6(OH)4
5.660(15.64) 100 3.760(23.64) 100 14.300(6.18) 100 Faujasite-Na (Na2,Ca,Mg)3.5[Al7Si17O48]•32(H2O)
5.660(15.64) 100 2.400(37.44) 80 2.570(34.88) 70 Botallackite Cu2Cl(OH)3
5.660(15.64) 100 2.590(34.60) 45 5.020(17.65) 45 Magnesiocarpholite MgAl2Si2O6(OH)4
5.660(15.64) 100 2.960(30.17) 95 3.500(25.43) 65 Orpheite PbAl3(PO4,SO4)2(OH)6 (?)
5.669(15.62) 100 2.827(31.62) 94 3.567(24.94) 90 Kanonaite (Mn+++,Al)AlSiO5
5.670(15.62) 100 7.930(11.15) 100 13.000(6.79) 100 Andersonite Na2Ca(UO2)(CO3)3•6(H2O)
5.670(15.62) 100 13.000(6.79) 100 7.930(11.15) 100 Andersonite Na2Ca(UO2)(CO3)3•6(H2O)
5.680(15.59) 100 1.575(58.56) 60 2.760(32.41) 60 Yushkinite V1-xS•n(Mg,Al)(OH)2
5.680(15.59) 100 2.760(32.41) 60 1.575(58.56) 60 Yushkinite V1-xS•n(Mg,Al)(OH)2
5.690(15.56) 100 3.426(25.99) 80 2.992(29.84) 75 Ahlfeldite (Ni,Co)SeO3•2(H2O)
5.700(15.53) 100 3.540(25.14) 91 2.860(31.25) 78 Acetamide CO(CH3)(NH2)
5.700(15.53) 100 3.385(26.31) 16 1.690(54.23) 14 Dawsonite NaAl(CO3)(OH)2
5.700(15.53) 100 6.350(13.93) 95 3.280(27.16) 30 Kladnoite C6H4(CO)2NH
5.705(15.52) 100 2.613(34.29) 100 3.048(29.28) 90 Potassiccarpholite (K,Na,[ ])(Li,Mn++)2Al)4Si4O12(OH)4(F,OH)4
5.710(15.51) 100 11.400(7.75) 100 3.370(26.43) 60 Valleriite 4(Fe,Cu)S•3(Mg,Al)(OH)2
5.720(15.48) 100 7.280(12.15) 90 3.244(27.47) 60 Faheyite (Mn,Mg)Fe+++2Be2(PO4)4•6(H2O)
5.730(15.45) 100 5.080(17.44) 70 2.620(34.20) 50 Carpholite MnAl2Si2O6(OH)4
5.730(15.45) 100 2.690(33.28) 80 8.110(10.90) 80 Orschallite Ca3(SO3)2SO4•12(H2O)
5.730(15.45) 100 2.464(36.43) 81 2.730(32.78) 39 Kapellasite Cu3Zn(OH)6Cl2
5.730(15.45) 100 8.110(10.90) 80 2.690(33.28) 80 Orschallite Ca3(SO3)2SO4•12(H2O)
5.740(15.42) 100 7.100(12.46) 100 3.239(27.52) 70 Poughite Fe+++2(TeO3)2(SO4)•3(H2O)
5.740(15.42) 100 1.765(51.75) 85 2.880(31.03) 75 Ralstonite NaxMgxAl2-x(F,OH)6•(H2O)
5.745(15.41) 100 2.872(31.11) 17 1.915(47.44) 9 Haydeeite Cu3Mg(OH)6Cl2
5.750(15.40) 100 6.300(14.05) 50 4.360(20.35) 40 Widgiemoolthalite (Ni,Mg)5(CO3)4(OH)2•4-5(H2O)
5.750(15.40) 100 2.700(33.15) 100 2.445(36.73) 90 Claringbullite Cu++4(OH)7Cl
5.750(15.40) 100 2.641(33.91) 26 3.080(28.97) 22 Vanadiocarpholite Mn++V+++Al(Si2O6)(OH)4
5.760(15.37) 100 8.090(10.93) 80 3.080(28.97) 80 Grimselite K3Na(UO2)(CO3)3•(H2O)
5.760(15.37) 100 2.915(30.64) 35 3.445(25.84) 25 Tolbachite CuCl2
5.760(15.37) 100 3.080(28.97) 80 8.090(10.93) 80 Grimselite K3Na(UO2)(CO3)3•(H2O)
5.760(15.37) 100 2.520(35.60) 100 3.700(24.03) 80 Painite CaZrB[Al9O18]
5.767(15.35) 100 1.881(48.35) 48 3.151(28.30) 35 Catamarcaite Cu6GeWS8
5.770(15.34) 100 6.680(13.24) 85 3.320(26.83) 50 Hydroboracite CaMgB6O8(OH)6•3(H2O)
5.790(15.29) 100 2.899(30.82) 82 9.200(9.61) 39 Hydromagnesite Mg5(CO3)4(OH)2•4(H2O)
5.795(15.28) 100 3.498(25.44) 90 3.881(22.90) 48 Bobjonesite VO(SO4)(H2O)3
5.800(15.26) 100 7.620(11.60) 90 5.240(16.91) 90 Indigirite Mg2Al2(CO3)4(OH)2•15(H2O)
5.800(15.26) 100 5.240(16.91) 90 7.620(11.60) 90 Indigirite Mg2Al2(CO3)4(OH)2•15(H2O)
5.811(15.23) 100 5.032(17.61) 73 2.516(35.66) 69 Panichiite (NH4)2SnCl6
5.811(15.23) 100 9.318(9.48) 89 5.679(15.59) 43 Hellyerite NiCO3•6(H2O)
5.824(15.20) 100 5.866(15.09) 80 3.163(28.19) 15 Hydromolysite FeCl3•6(H2O)
5.830(15.18) 100 3.880(22.90) 100 11.600(7.61) 100 Kolovratite Hydrous vanadate of Ni and Zn
5.840(15.16) 100 2.720(32.90) 72 4.980(17.80) 61 Jokokuite MnSO4•5(H2O)
5.840(15.16) 100 4.140(21.45) 70 3.990(22.26) 60 Anthonyite Cu(OH,Cl)2•3(H2O)
5.843(15.15) 100 9.704(9.11) 100 3.139(28.41) 90 Dickthomssenite Mg(V+++++2O6)•7(H2O)
5.850(15.13) 100 2.882(31.00) 100 6.590(13.42) 90 Scolecite CaAl2Si3O10•3(H2O)
5.850(15.13) 100 2.590(34.60) 80 3.160(28.22) 25 Scacchite MnCl2
5.850(15.13) 100 3.030(29.45) 95 2.276(39.56) 45 Beaverite PbCu++(Fe+++,Al)2(SO4)2(OH)6

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