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 49 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 5.8016 AND d1 < 6.0384)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
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 4.140(21.45) 70 3.990(22.26) 60 Anthonyite Cu(OH,Cl)2•3(H2O)
5.840(15.16) 100 2.720(32.90) 72 4.980(17.80) 61 Jokokuite MnSO4•5(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 2.590(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
5.850(15.13) 100 2.882(31.00) 100 6.590(13.42) 90 Scolecite CaAl2Si3O10•3(H2O)
5.870(15.08) 100 2.371(37.92) 50 1.946(46.64) 45 Leonite K2Mg(SO4)2•4(H2O)
5.880(15.05) 100 3.060(29.16) 90 2.250(40.04) 60 Benauite HSrFe+++3(PO4)2(OH)6
5.880(15.05) 100 2.250(40.04) 90 3.650(24.37) 60 Benauite HSrFe+++3(PO4)2(OH)6
5.880(15.05) 100 2.944(30.34) 78 3.080(28.97) 62 Elsmoreite WO3•0.5(H2O)
5.890(15.03) 100 8.010(11.04) 100 3.140(28.40) 90 Dewindtite Pb3[H(UO2)3O2(PO4)2]2•12(H2O)
5.890(15.03) 100 3.660(24.30) 90 2.926(30.53) 80 Clinochalcomenite CuSeO3•2(H2O)
5.890(15.03) 100 2.940(30.38) 50 2.570(34.88) 10 Chloromagnesite MgCl2
5.890(15.03) 100 2.570(34.88) 50 1.145(84.56) 10 Chloromagnesite MgCl2
5.897(15.01) 100 12.770(6.92) 90 2.871(31.13) 80 Mourite U++++Mo++++++5O12(OH)10
5.900(15.00) 100 7.950(11.12) 81 3.941(22.54) 71 Deliensite Fe++(UO2)2(SO4)2(OH)2•3(H2O)
5.910(14.98) 100 9.500(9.30) 90 3.160(28.22) 70 Zanazziite Ca2(Mg,Fe++)(Mg,Fe++,Al,Mn,Fe+++)4Be4(PO4)6(OH)4•6(H2O)
5.915(14.97) 100 7.861(11.25) 87 4.372(20.30) 86 Kochsandorite CaAl2(CO3)2(OH)4•H2O
5.920(14.95) 100 2.784(32.12) 86 3.170(28.13) 53 Atencioite Ca2Fe++[ ]Mg2Fe++2Be4(PO4)6(OH)4•6H2O
5.920(14.95) 100 3.400(26.19) 80 2.960(30.17) 60 Studtite [(UO2)O2(H2O)2](H2O)2
5.926(14.94) 100 6.773(13.06) 63 5.034(17.60) 58 Metarossite CaV2O6•2(H2O)
5.930(14.93) 100 2.360(38.10) 90 4.890(18.13) 70 Cesbronite-x Cu5(TeO3)2(OH)6•2(H2O)
5.930(14.93) 100 3.650(24.37) 100 2.968(30.08) 80 Whewellite Ca(C2O4)•(H2O)
5.930(14.93) 100 3.490(25.50) 90 2.360(38.10) 70 Cesbronite-x Cu5(TeO3)2(OH)6•2(H2O)
5.934(14.92) 100 3.490(25.50) 92 4.889(18.13) 71 Cesbronite Cu5(TeO3)2(OH)6•2(H2O)
5.940(14.90) 100 2.970(30.06) 43 5.210(17.00) 37 Schertelite (NH4)2MgH2(PO4)2•4(H2O)
5.940(14.90) 100 2.966(30.10) 100 3.100(28.77) 90 Ferritungstite (K,Ca,Na)(W++++++,Fe+++)2(O,OH)6•(H2O)
5.943(14.89) 100 3.169(28.14) 65 9.485(9.32) 44 Ruifrancoite Ca2([ ],Mn)2(Fe+++,Mn,Mg)4Be4(PO4)6(OH)4•6H2O
5.943(14.89) 100 3.233(27.57) 100 3.067(29.09) 60 Paganoite (Ni,Co)BiAsO5
5.943(14.89) 100 4.816(18.41) 65 3.169(28.14) 44 Ruifrancoite Ca2([ ],Mn)2(Fe+++,Mn,Mg)4Be4(PO4)6(OH)4•6H2O
5.950(14.88) 100 3.010(29.65) 90 6.460(13.70) 80 Paraumbite K3Zr2HSi6O18•n(H2O) n=3 to 7
5.960(14.85) 100 9.580(9.22) 90 3.180(28.04) 70 Roscherite Ca(Mn++,Fe++)5Be4(PO4)6(OH)4•6(H2O)
5.970(14.83) 100 6.110(14.48) 80 3.090(28.87) 70 Nabesite Na2BeSi4O10•4(H2O)
5.970(14.83)
-
4.330(20.49)
-
4.210(21.08)
-
Kumdykolite NaAlSi3O8
5.980(14.80) 100 3.152(28.29) 90 9.480(9.32) 90 Guimaraesite Ca2(Zn,Mg,Fe)5Be4(PO4)6(OH)4•6H2O
5.980(14.80) 100 9.480(9.32) 90 3.152(28.29) 90 Guimaraesite Ca2(Zn,Mg,Fe)5Be4(PO4)6(OH)4•6H2O
5.990(14.78) 100 3.580(24.85) 90 5.471(16.19) 70 Melanophlogite SiO2•n(C,H,O,S)
5.998(14.76) 100 9.575(9.23) 53 3.192(27.93) 44 Footemineite Ca2Mn++Mn++2Mn++2Be4(PO4)6(OH)4•6H2O
6.006(14.74) 100 3.003(29.73) 70 3.047(29.29) 60 Olmsteadite KFe++2(Nb,Ta)(PO4)2O2•2(H2O)
6.010(14.73) 100 3.005(29.71) 80 3.054(29.22) 70 Johnwalkite K(Mn++,Fe+++,Fe++)2(Nb,Ta)(PO4)2O2((H2O),OH)2
6.015(14.71) 100 3.694(24.07) 67 2.140(42.19) 30 Mcguinnessite (Mg,Cu)2(CO3)(OH)2
6.020(14.70) 100 7.840(11.28) 100 3.250(27.42) 80 Sitinakite Na2K(Ti,Nb)4O4(SiO4)2(O,OH)•4(H2O)
6.023(14.70) 100 3.365(26.47) 68 2.943(30.35) 55 Ramanite-(Cs) Cs[B5O6(OH)4]•2H2O
6.030(14.68) 100 6.710(13.18) 80 3.330(26.75) 80 Nielsbohrite K(UO2)3(AsO4)(OH)4•H2O
6.030(14.68) 100 3.330(26.75) 80 6.710(13.18) 80 Nielsbohrite K(UO2)3(AsO4)(OH)4•H2O

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