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 61 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 4.94802 AND d1 < 5.14998)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
4.950(17.90) 100 3.330(26.75) 80 5.580(15.87) 80 Chadwickite (UO2)H(AsO3)
4.950(17.90) 100 4.980(17.80) 85 3.770(23.58) 80 Letovicite (NH4)3H(SO4)2
4.950(17.90) 100 5.580(15.87) 80 3.330(26.75) 80 Chadwickite (UO2)H(AsO3)
4.960(17.87) 100 7.250(12.20) 80 2.560(35.02) 60 Turanite Cu5(VO4)2(OH)4
4.960(17.87) 100 10.600(8.33) 90 9.530(9.27) 85 Mcauslanite HFe++3Al2(PO4)4F•18(H2O)
4.960(17.87) 100 4.810(18.43) 100 3.900(22.78) 90 Xitieshanite Fe+++(SO4)(Cl)•7(H2O)
4.970(17.83) 100 3.150(28.31) 80 3.590(24.78) 60 Butlerite Fe+++(SO4)(OH)•2(H2O)
4.970(17.83) 100 3.200(27.86) 80 4.140(21.45) 60 Brassite Mg(AsO3OH)•4(H2O)
4.980(17.80) 100 3.060(29.16) 100 2.070(43.69) 90 Ursilite (Mg,Ca)4[(UO2)4(OH)5/(Si2O5)5.5]•13(H2O)
4.980(17.80) 100 3.000(29.76) 100 4.060(21.87) 80 Spiroffite (Mn,Zn)2Te3O8
4.980(17.80) 100 3.260(27.33) 85 3.050(29.26) 75 Moskvinite-(Y) Na2K(Y,REE) [Si6O15]
4.990(17.76) 100 3.110(28.68) 100 5.850(15.13) 60 Parabutlerite Fe+++(SO4)(OH)•2(H2O)
5.000(17.72) 100 3.230(27.59) 100 2.110(42.82) 80 Vanuranylite (H3O,Ba,Ca,K)1.6(UO2)2V2O8•4(H2O) (?)
5.000(17.72) 100 4.240(20.93) 80 6.290(14.07) 60 Cervelleite Ag4TeS
5.000(17.72) 100 2.820(31.70) 100 5.400(16.40) 100 Atacamite Cu2Cl(OH)3
5.010(17.69) 100 2.954(30.23) 35 3.532(25.19) 25 Metamunirite Na2[V+++++2O6] or NaVO3
5.030(17.62) 100 2.970(30.06) 80 2.310(38.96) 80 Mackinawite (Fe,Ni)S0.9
5.030(17.62) 100 9.460(9.34) 100 5.560(15.93) 100 Chabazite-K (K2,Ca,Na2,Mg)[Al2Si4O12]•6(H2O)
5.030(17.62) 100 9.460(9.34) 100 5.560(15.93) 100 Chabazite-Na (Na2,K2,Ca,Mg)[Al2Si4O12]•6(H2O)
5.030(17.62) 100 2.310(38.96) 80 2.970(30.06) 80 Mackinawite (Fe,Ni)S0.9
5.030(17.62) 100 3.550(25.06) 90 2.509(35.76) 75 Kamiokite Fe2Mo3O8
5.030(17.62) 100 5.560(15.93) 100 9.460(9.34) 100 Chabazite-K (K2,Ca,Na2,Mg)[Al2Si4O12]•6(H2O)
5.030(17.62) 100 5.560(15.93) 100 9.460(9.34) 100 Chabazite-Na (Na2,K2,Ca,Mg)[Al2Si4O12]•6(H2O)
5.036(17.60) 100 3.852(23.07) 100 9.120(9.69) 100 Sieleckiite Cu3Al4(PO4)2(OH)12•2(H2O)
5.040(17.58) 100 5.170(17.14) 100 5.480(16.16) 80 Grandidierite (Mg,Fe++)Al3(BO4)(SiO4)O
5.040(17.58) 100 5.690(15.56) 70 3.355(26.55) 30 Ferrocarpholite (Fe++,Mg)Al2Si2O6(OH)4
5.041(17.58) 100 2.518(35.63) 77 2.947(30.30) 44 Melanothallite Cu2OCl2
5.049(17.55) 100 3.005(29.71) 65 5.901(15.00) 59 Galgenbergite-(Ce) Ca(REE)2(CO3)4•(H2O)
5.050(17.55) 100 5.570(15.90) 75 4.940(17.94) 65 Phosphammite (NH4)2HPO4
5.050(17.55) 100 2.740(32.65) 80 2.990(29.86) 80 Brazilianite NaAl3(PO4)2(OH)4
5.050(17.55) 100 2.990(29.86) 80 2.740(32.65) 80 Brazilianite NaAl3(PO4)2(OH)4
5.050(17.55) 100 5.210(17.00) 90 2.180(41.38) 75 Ominelite (Fe++,Mg)Al3BSiO9
5.050(17.55) 100 2.180(41.38) 90 2.790(32.05) 75 Ominelite (Fe++,Mg)Al3BSiO9
5.060(17.51) 100 5.530(16.01) 100 7.000(12.64) 60 Dinite C20H36
5.060(17.51) 100 3.060(29.16) 80 3.120(28.59) 70 Natrojarosite NaFe+++3(SO4)2(OH)6
5.068(17.48) 100 4.054(21.91) 85 2.257(39.91) 75 Bigcreekite BaSi2O5•4(H2O)
5.068(17.48) 100 3.802(23.38) 94 3.033(29.42) 89 Lecontite (NH4,K)Na(SO4)•2(H2O)
5.070(17.48) 100 2.450(36.65) 70 8.930(9.90) 70 Zaratite Ni3(CO3)(OH)4•4(H2O)
5.070(17.48) 100 4.120(21.55) 80 3.590(24.78) 20 Cupalite (Cu,Zn)Al
5.070(17.48) 100 8.930(9.90) 70 2.450(36.65) 70 Zaratite Ni3(CO3)(OH)4•4(H2O)
5.080(17.44) 100 3.750(23.71) 100 3.240(27.51) 100 Chayesite K(Mg,Fe++)4Fe+++(Si12O30)
5.081(17.44) 100 2.627(34.10) 57 3.779(23.52) 39 IMA2008-069 Na3Y(CO3)3•6H2O
5.081(17.44) 100 9.820(9.00) 57 2.627(34.10) 39 IMA2008-069 Na3Y(CO3)3•6H2O
5.090(17.41) 100 3.370(26.43) 100 3.300(27.00) 100 Jungite Ca2Zn4Fe+++8(PO4)9(OH)9•16(H2O)
5.090(17.41) 100 2.970(30.06) 57 9.040(9.78) 53 Makatite Na2Si4O8(OH)2•4(H2O)
5.100(17.37) 100 3.130(28.49) 90 3.090(28.87) 65 Hydroniumjarosite (H3O)Fe+++3(SO4)2(OH)6
5.100(17.37) 100 2.040(44.37) 100 10.100(8.75) 60 Uranocircite Ba(UO2)2(PO4)2•12(H2O)
5.114(17.33) 100 2.559(35.04) 91 2.169(41.60) 57 Chestermanite Mg2(Fe+++,Mg,Al,Sb+++++)BO3O2
5.115(17.32) 100 12.100(7.30) 56 2.617(34.24) 32 Montgomeryite Ca4MgAl4(PO4)6(OH)4•12(H2O)
5.120(17.31) 100 2.547(35.21) 70 2.515(35.67) 70 Ludwigite Mg2Fe+++BO5
5.120(17.31) 100 7.130(12.40) 90 3.028(29.47) 80 Coyoteite NaFe3S5•2(H2O)
5.120(17.31) 100 2.515(35.67) 70 2.547(35.21) 70 Ludwigite Mg2Fe+++BO5
5.130(17.27) 100 3.253(27.39) 100 2.815(31.76) 60 Poudretteite KNa2B3Si12O30
5.135(17.25) 100 3.907(22.74) 70 5.431(16.31) 60 Minasragrite VO(SO4)•5(H2O)
5.140(17.24) 100 10.370(8.52) 100 8.290(10.66) 90 Mooreite (Mg,Zn,Mn)15(SO4)2(OH)26•8(H2O)
5.140(17.24) 100 5.560(15.93) 91 3.750(23.71) 78 Pararealgar AsS
5.140(17.24) 100 3.210(27.77) 100 2.510(35.74) 90 Paralaurionite PbCl(OH)
5.140(17.24) 100 7.720(11.45) 70 3.580(24.85) 70 Nitrocalcite Ca(NO3)2•4(H2O)
5.140(17.24) 28 4.550(19.49) 43 3.671(24.22) 32 Qaqarssukite-(Ce) Ba(Ce,REE)(CO3)2F
5.140(17.24) 100 3.580(24.85) 70 7.720(11.45) 70 Nitrocalcite Ca(NO3)2•4(H2O)
5.140(17.24) 100 3.400(26.19) 80 4.530(19.58) 60 Lautenthalite PbCu++4(OH)6(SO4)2•3(H2O)

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