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 23 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 12.74 AND d1 < 13.26)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
12.770(6.92) 100 2.768(32.32) 90 8.350(10.59) 70 Schoonerite Fe++2ZnMnFe+++(PO4)3(OH)2•9(H2O)
12.771(6.92) 100 3.140(28.40) 50 3.631(24.50) 50 Gerdtremmelite ZnAl2(AsO4)(OH)5
12.771(6.92) 100 3.631(24.50) 50 3.140(28.40) 50 Gerdtremmelite ZnAl2(AsO4)(OH)5
12.800(6.90) 100 4.764(18.61) 34 2.630(34.06) 29 Kankite Fe+++AsO4•3.5(H2O)
12.810(6.89) 100 2.571(34.87) 70 4.290(20.69) 60 Adamsite-(Y) NaY(CO3)2•6(H2O)
12.810(6.89) 100 6.450(13.72) 70 2.571(34.87) 60 Adamsite-(Y) NaY(CO3)2•6(H2O)
12.820(6.89) 100 7.785(11.36) 80 6.319(14.00) 40 Walkerite Ca16(Mg,Li,[ ])2[B13O17(OH)12]4Cl6•28(H2O)
12.900(6.85) 100 3.000(29.76) 50 4.430(20.03) 30 Walentaite (Ca,Mn++,Fe++)Fe+++3(AsO4)(PO4)3(PO3OH)
12.900(6.85) 100 4.340(20.45) 18 4.510(19.67) 7 Loughlinite Na2Mg3Si6O16•8(H2O)
12.900(6.85) 100 3.168(28.14) 70 7.663(11.54) 50 Apachite Cu9Si10O29•11(H2O)
12.950(6.82) 100 6.501(13.61) 23 4.339(20.45) 15 Gordaite NaZn(SO4)(OH)6Cl•6(H2O)
12.960(6.81) 100 1.508(61.43) 90 4.530(19.58) 90 Swinefordite (Li,Ca0.5,Na)0.72(Li,Al,Mg)2.66(Si,Al)4O10(OH,F)2•2(H2O)
12.960(6.81) 100 4.530(19.58) 90 1.508(61.43) 90 Swinefordite (Li,Ca0.5,Na)0.72(Li,Al,Mg)2.66(Si,Al)4O10(OH,F)2•2(H2O)
12.970(6.81) 100 4.320(20.54) 50 3.133(28.47) 50 Thomasclarkite-(Y) (Na,Ce)(Y,REE)(HCO3)(OH)3•4(H2O)
12.970(6.81) 100 3.133(28.47) 50 4.320(20.54) 50 Thomasclarkite-(Y) (Na,Ce)(Y,REE)(HCO3)(OH)3•4(H2O)
13.000(6.79) 100 7.930(11.15) 100 5.670(15.62) 100 Andersonite Na2Ca(UO2)(CO3)3•6(H2O)
13.000(6.79) 100 3.030(29.45) 45 2.652(33.77) 30 Jonesite Ba2(K,Na)[Ti2(Si5Al)O18•n(H2O)
13.010(6.79) 100 3.256(27.37) 95 9.200(9.61) 62 Niveolanite NaBe(CO3)(OH)•2H2O
13.060(6.76) 100 5.350(16.56) 90 3.850(23.08) 80 Torreyite (Mg,Mn)9Zn4(SO4)2(OH)22•8(H2O)
13.080(6.75) 100 9.270(9.53) 80 6.130(14.44) 80 Roggianite Ca2[Be(OH)2Al2Si4O13]•<2•5(H2O)
13.080(6.75) 100 6.130(14.44) 80 9.270(9.53) 80 Roggianite Ca2[Be(OH)2Al2Si4O13]•<2•5(H2O)
13.100(6.74) 100 2.527(35.49) 90 2.681(33.39) 40 Theresemagnanite (Co,Zn,Ni)6(SO4)(OH,Cl)10•8(H2O)
13.180(6.70) 100 6.580(13.45) 43 2.968(30.08) 37 Martinite (Na,[ ],Ca)12Ca4(Si,S,B)14B2O38(OH,Cl)2F2•4(H2O)

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