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 55 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 4.8314 AND d1 < 5.0286)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
4.839(18.32)
-
4.423(20.06)
-
4.231(20.98)
-
Akdalaite 5(Al2O3)•(H2O)
4.840(18.31) 100 9.670(9.14) 60 2.590(34.60) 60 Cyanophyllite Cu++5Al2(SbO4)3(OH)7•9(H2O)
4.840(18.31) 100 4.800(18.47) 100 4.730(18.74) 100 Millisite (Na,K)CaAl6(PO4)4(OH)9•3(H2O)
4.840(18.31) 100 2.729(32.79) 82 2.869(31.15) 80 Noelbensonite BaMn+++2(Si2O7)(OH)2•(H2O)
4.840(18.31) 100 2.590(34.60) 60 9.670(9.14) 60 Cyanophyllite Cu++5Al2(SbO4)3(OH)7•9(H2O)
4.841(18.31) 100 9.638(9.17) 100 2.747(32.57) 60 Utahite Cu5Zn3(Te++++++O4)4(OH)8•7(H2O)
4.844(18.30) 100 2.422(37.09) 45 2.098(43.08) 35 Cryptohalite (NH4)2SiF6
4.848(18.28) 100 6.839(12.93) 64 3.547(25.09) 57 Pattersonite PbFe3(PO4)2(OH)4(H2O,OH)2
4.850(18.28) 100 3.145(28.35) 85 7.190(12.30) 78 Zektzerite NaLiZrSi6O15
4.850(18.28) 100 3.779(23.52) 38 4.440(19.98) 16 Alpersite (Mg,Cu)SO4•7H2O
4.850(18.28) 100 3.186(27.98) 80 2.658(33.69) 80 Cyrilovite NaFe+++3(PO4)2(OH)4•2(H2O)
4.850(18.28) 100 2.658(33.69) 80 3.186(27.98) 80 Cyrilovite NaFe+++3(PO4)2(OH)4•2(H2O)
4.860(18.24) 100 2.566(34.94) 85 3.600(24.71) 75 Antlerite Cu3(SO4)(OH)4
4.870(18.20) 100 3.760(23.64) 75 4.820(18.39) 55 Bieberite CoSO4•7(H2O)
4.880(18.16) 100 3.770(23.58) 70 4.820(18.39) 45 Zincmelanterite (Zn,Cu,Fe++)SO4•7(H2O)
4.880(18.16) 100 2.900(30.81) 80 4.510(19.67) 80 Kolbeckite ScPO4•2(H2O)
4.880(18.16) 100 4.510(19.67) 80 2.900(30.81) 80 Kolbeckite ScPO4•2(H2O)
4.886(18.14) 100 3.776(23.54) 21 5.494(16.12) 14 Caichengyunite Fe++3Al2(SO4)6•30(H2O)
4.890(18.13) 100 2.450(36.65) 100 3.000(29.76) 50 Mayenite Ca12Al14O33
4.890(18.13) 100 4.826(18.37) 43 2.798(31.96) 33 Boothite CuSO4•7(H2O)
4.890(18.13) 100 2.680(33.41) 100 2.450(36.65) 50 Mayenite Ca12Al14O33
4.890(18.13) 100 3.179(28.04) 70 2.039(44.39) 60 Glushinskite Mg(C2O4)•2(H2O)
4.890(18.13) 100 3.640(24.43) 90 3.270(27.25) 80 Tikhonenkovite SrAl(OH)F4•(H2O)
4.890(18.13) 100 2.330(38.61) 90 4.170(21.29) 80 Cualstibite Cu++6Al3Sb3(OH)36
4.890(18.13) 100 3.730(23.84) 80 5.570(15.90) 60 Siderotil Fe++SO4•5(H2O)
4.897(18.10) 100 1.887(48.18) 100 2.342(38.40) 88 Zincalstibite Zn2AlSb(OH)12
4.900(18.09) 100 3.780(23.52) 64 3.230(27.59) 20 Melanterite Fe++SO4•7(H2O)
4.908(18.06) 100 5.654(15.66) 90 4.371(20.30) 60 Wilcoxite MgAl(SO4)2F•18(H2O)
4.910(18.05) 100 5.450(16.25) 80 4.470(19.85) 80 Chvaleticeite (Mn++,Mg)SO4•6(H2O)
4.910(18.05) 100 4.470(19.85) 80 5.450(16.25) 80 Chvaleticeite (Mn++,Mg)SO4•6(H2O)
4.910(18.05) 100 5.680(15.59) 70 4.400(20.16) 50 Svyazhinite MgAl(SO4)2F•14(H2O)
4.920(18.01) 100 5.490(16.13) 70 4.880(18.16) 55 Mallardite Mn++SO4•7(H2O)
4.923(18.00) 100 4.586(19.34) 85 3.968(22.39) 50 Ludlamite (Fe++,Mg,Mn)3(PO4)2•4(H2O)
4.930(17.98) 100 7.190(12.30) 50 8.760(10.09) 50 Flagstaffite C10H22O3
4.930(17.98) 100 8.760(10.09) 50 7.190(12.30) 50 Flagstaffite C10H22O3
4.930(17.98) 100 7.600(11.63) 100 15.220(5.80) 100 Uranospathite Al1-x[ ]x[(UO2)(PO4)]2(H2O)20+3xF1-3x
4.930(17.98) 100 15.220(5.80) 100 7.600(11.63) 100 Uranospathite Al1-x[ ]x[(UO2)(PO4)]2(H2O)20+3xF1-3x
4.940(17.94) 100 3.390(26.27) 80 4.040(21.98) 60 Idrialite C22H14
4.944(17.93) 100 3.457(25.75) 100 4.732(18.74) 80 Metadelrioite CaSrV2O6(OH)2•(H2O)
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 4.810(18.43) 100 3.900(22.78) 90 Xitieshanite Fe+++(SO4)(Cl)•7(H2O)
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)
4.970(17.83) 100 3.200(27.86) 80 4.140(21.45) 60 Brassite Mg(AsO3OH)•4(H2O)
4.970(17.83) 100 3.150(28.31) 80 3.590(24.78) 60 Butlerite Fe+++(SO4)(OH)•2(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 3.060(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 3.260(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 2.820(31.70) 100 5.400(16.40) 100 Atacamite Cu2Cl(OH)3
5.000(17.72) 100 4.240(20.93) 80 6.290(14.07) 60 Cervelleite Ag4TeS
5.010(17.69) 100 2.954(30.23) 35 3.532(25.19) 25 Metamunirite Na2[V+++++2O6] or NaVO3

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