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 39 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 11.4268 AND d1 < 11.8932)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
11.490(7.69) 100 3.270(27.25) 90 6.230(14.20) 90 Phaunouxite Ca3(AsO4)•11(H2O)
11.490(7.69) 100 6.230(14.20) 90 3.270(27.25) 90 Phaunouxite Ca3(AsO4)•11(H2O)
11.500(7.68) 100 4.300(20.64) 100 2.440(36.80) 100 Ilmajokite (Na,Ce,La,Ba)2TiSi3O5(OH)10•n(H2O) (?)
11.500(7.68) 100 2.890(30.92) 60 2.610(34.33) 60 Erlianite (Fe++,Mg)4(Fe+++,V+++)2[Si6O15](O,OH)8
11.500(7.68) 100 5.610(15.78) 90 2.844(31.43) 60 Wallkilldellite Ca4Mn++6As+++++4O16(OH)8•18(H2O)
11.500(7.68) 100 2.994(29.82) 31 2.566(34.94) 25 Smythite (Fe,Ni)9S11 or (Fe,Ni)13S16
11.500(7.68) 100 2.880(31.03) 65 4.350(20.40) 60 Offretite (K2,Ca,Mg)2.5Al5Si13O36•15(H2O)
11.500(7.68) 100 2.610(34.33) 60 2.890(30.92) 60 Erlianite (Fe++,Mg)4(Fe+++,V+++)2[Si6O15](O,OH)8
11.510(7.67) 100 4.346(20.42) 88 2.888(30.94) 53 Calciopetersite CaCu6[(PO4)2(PO3OH)(OH)6]•3(H2O)
11.510(7.67) 100 2.872(31.11) 100 3.065(29.11) 47 Tuscanite K(Ca,Na)6(Si,Al)10O22(SO4,CO3,(OH)2)•(H2O)
11.520(7.67) 100 2.900(30.81) 42 6.990(12.65) 23 Sasaite (Al,Fe+++)14(PO4)11(SO4)(OH)7•84(H2O)
11.564(7.64) 100 6.932(12.76) 90 3.052(29.24) 75 Haineaultite (Na,Ca)5Ca(Ti,Nb)5(Si,S)12O34(OH,F)8•5(H2O)
11.580(7.63) 100 2.990(29.86) 100 1.652(55.59) 80 Ershovite Na4K3(Fe++,Mn++,Ti)2Si8O20(OH)4•5(H2O)
11.580(7.63) 100 1.652(55.59) 100 2.709(33.04) 80 Ershovite Na4K3(Fe++,Mn++,Ti)2Si8O20(OH)4•5(H2O)
11.600(7.61) 100 5.020(17.65) 30 6.620(13.36) 30 Kribergite Al5(PO4)3(SO4)(OH)4•4(H2O)
11.600(7.61) 100 5.830(15.18) 100 3.880(22.90) 100 Kolovratite Hydrous vanadate of Ni and Zn
11.600(7.61) 100 2.433(36.91) 60 4.360(20.35) 50 Petersite-(Y) (Y,Ce,Nd,Ca)Cu6(PO4)3(OH)6•3(H2O)
11.600(7.61) 100 2.860(31.25) 80 5.700(15.53) 60 Murmanite (Na,[ ])2{(Na,Ti)4[Ti2(O,H2O)4Si4O14](OH,F)2}•2H2O
11.600(7.61) 100 7.620(11.60) 100 6.820(12.97) 70 Zapatalite Cu3Al4(PO4)3(OH)9•4(H2O)
11.600(7.61) 100 6.910(12.80) 90 3.040(29.36) 80 Chivruaiite Ca4(Ti,Nb)5[(Si6O17)2[(OH,O)5]•13-14H2O
11.600(7.61) 100 5.670(15.62) 80 3.275(27.21) 70 Wallkilldellite-(Fe) (Ca,Cu)4Fe6[(As,Si)O4]4(OH)8•18(H2O)
11.600(7.61) 100 6.620(13.36) 30 5.020(17.65) 30 Kribergite Al5(PO4)3(SO4)(OH)4•4(H2O)
11.630(7.60) 100 2.920(30.59) 50 3.235(27.55) 45 Goudeyite (Al,Y)Cu6(AsO4)3(OH)6•3(H2O)
11.630(7.60) 100 5.800(15.26) 27 5.880(15.05) 20 Avdoninite K2Cu5Cl8(OH)4•H2O
11.640(7.59) 100 2.935(30.43) 42 4.431(20.02) 41 Zalesiite (Ca,Y)Cu6[(AsO4)2(AsO3OH)(OH)6]•3(H2O)
11.654(7.58) 100 4.862(18.23) 62 6.581(13.44) 62 Matioliite NaMgAl5(PO4)4(OH)6•2H2O
11.654(7.58) 100 6.581(13.44) 62 4.862(18.23) 62 Matioliite NaMgAl5(PO4)4(OH)6•2H2O
11.660(7.58) 100 3.000(29.76) 41 2.657(33.70) 22 Chlorartinite Mg2(CO3)Cl(OH)•3(H2O)
11.700(7.55) 100 2.450(36.65) 40 3.560(24.99) 27 Agardite-(La) (La,Ca)Cu6(AsO4)3(OH)6•3(H2O)
11.710(7.54) 100 3.081(28.96) 90 3.115(28.63) 70 Burangaite (Na,Ca)2(Fe++,Mg)2Al10(PO4)8(OH,O)12•4(H2O)
11.790(7.49) 100 10.160(8.70) 80 7.900(11.19) 80 Bouazzerite Bi6(Mg,Co)11Fe14[AsO4]18O12(OH)4(H2O)86
11.790(7.49) 100 10.160(8.70) 80 10.980(8.05) 80 Bouazzerite Bi6(Mg,Co)11Fe14[AsO4]18O12(OH)4(H2O)86
11.790(7.49) 100 7.900(11.19) 80 10.160(8.70) 80 Bouazzerite Bi6(Mg,Co)11Fe14[AsO4]18O12(OH)4(H2O)86
11.800(7.49) 100 3.380(26.35) 70 3.280(27.16) 70 Giorgiosite Mg5(CO3)4(OH)2•5(H2O)
11.800(7.49) 100 3.280(27.16) 70 3.380(26.35) 70 Giorgiosite Mg5(CO3)4(OH)2•5(H2O)
11.820(7.47) 100 4.850(18.28) 90 5.950(14.88) 85 Ktenasite (Cu,Zn)5(SO4)2(OH)6•6(H2O)
11.850(7.45) 100 3.050(29.26) 90 5.640(15.70) 70 Gerstleyite Na2(Sb,As)8S13•2(H2O)
11.880(7.44) 100 2.460(36.49) 90 2.950(30.27) 80 Agardite-(Ce) (Ce,Ca)Cu6(AsO4)3(OH)6•3(H2O)
11.880(7.44) 100 2.950(30.27) 90 3.560(24.99) 80 Agardite-(Ce) (Ce,Ca)Cu6(AsO4)3(OH)6•3(H2O)

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