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 36 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 6.08286 AND d1 < 6.33114)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
6.084(14.55) 100 3.858(23.03) 90 3.471(25.64) 80 Frolovite CaB2(OH)8
6.101(14.51) 100 5.621(15.75) 91 9.515(9.29) 67 Cloncurryite [Cu0.56(VO)0.44]Al2(PO4)2(F,OH)•2.5H2O)
6.110(14.48) 100 3.164(28.18) 65 2.346(38.34) 53 Boehmite AlO(OH)
6.110(14.48) 100 4.500(19.71) 90 3.179(28.04) 70 Moydite-(Y) YB(OH)4(CO3)
6.110(14.48) 100 4.330(20.49) 100 2.720(32.90) 80 Epistolite (Na,[ ])2{(Na,Ti)4[Nb2(O,H2O)4Si4O14](OH,F)2}•2H2O
6.140(14.41) 100 4.381(20.25) 80 3.516(25.31) 60 Kamphaugite-(Y) (Ca1.84REEx)(Y1.46REE0.54-x)(CO3)4(OH)1.65•2(H2O)
6.150(14.39) 100 2.277(39.55) 45 1.830(49.79) 25 Molybdenite MoS2
6.158(14.37) 100 3.076(29.00) 60 10.180(8.68) 40 Mantienneite KMg2Al2Ti(PO4)4(OH)3•15(H2O)
6.160(14.37) 100 3.010(29.65) 100 2.776(32.22) 100 Ungursaite NaCa5(Ta,Nb)24O65(OH)
6.161(14.36) 100 3.286(27.11) 50 3.039(29.37) 30 Selwynite NaK(Be,Al)Zr2(PO4)4•2(H2O)
6.170(14.34) 100 7.450(11.87) 100 3.870(22.96) 90 Callaghanite Cu2Mg2(CO3)(OH)6•2(H2O)
6.180(14.32) 100 2.775(32.23) 65 4.420(20.07) 30 Weddellite Ca(C2O4)•2(H2O)
6.180(14.32) 100 2.277(39.55) 35 2.731(32.77) 25 Tungstenite WS2
6.190(14.30) 100 2.690(33.28) 70 4.560(19.45) 60 Vyacheslavite U++++(PO4)(OH)•2.5(H2O)
6.200(14.27) 100 3.250(27.42) 100 1.920(47.30) 90 Pseudo-autunite (H3O)4Ca2(UO2)2(PO4)4•5(H2O) (?)
6.200(14.27) 100 3.505(25.39) 100 3.006(29.70) 100 Grumantite NaHSi2O5•(H2O)
6.200(14.27) 100 2.202(40.95) 80 2.657(33.70) 75 Szaibelyite MgBO2(OH)
6.200(14.27) 100 10.300(8.58) 90 7.460(11.85) 80 Paulkerrite K(Mg,Mn)2(Fe+++,Al)2Ti(PO4)4(OH)3•15(H2O)
6.207(14.26) 100 3.894(22.82) 95 3.094(28.83) 65 Howlite Ca2B5SiO9(OH)5
6.208(14.26) 100 2.413(37.23) 90 2.990(29.86) 90 Grandviewite Cu3Al9(SO4)2(OH)29
6.208(14.26) 100 2.990(29.86) 90 2.413(37.23) 90 Grandviewite Cu3Al9(SO4)2(OH)29
6.215(14.24) 100 7.220(12.25) 100 3.104(28.74) 70 Kaliborite KHMg2B12O16(OH)10•4(H2O)
6.220(14.23) 100 3.260(27.33) 100 2.780(32.17) 80 Odanielite Na(Zn,Mg)3H2(AsO4)3
6.230(14.20) 100 10.400(8.50) 90 3.150(28.31) 90 Matveevite KTiMn2Fe+++2(PO4)4(OH)3•15(H2O)
6.230(14.20) 100 3.150(28.31) 90 10.400(8.50) 90 Matveevite KTiMn2Fe+++2(PO4)4(OH)3•15(H2O)
6.230(14.20) 100 3.140(28.40) 80 3.960(22.43) 70 Curite Pb3+x(H2O)2[(UO2)4+x(OH)3-x]2, x~0.5
6.241(14.18) 100 7.086(12.48) 50 3.530(25.21) 40 Decrespignyite-(Y) (Y,REE)4Cu(CO3)4Cl(OH)5•2(H2O)
6.250(14.16) 100 6.500(13.61) 70 3.230(27.59) 60 Alumohydrocalcite CaAl2(CO3)2(OH)4•3(H2O)
6.260(14.14) 100 3.290(27.08) 90 2.470(36.34) 80 Lepidocrocite FeO(OH)
6.260(14.14) 100 3.130(28.49) 100 10.290(8.59) 90 Benyacarite (H2O,K)2Ti(Mn++,Fe++)2(Fe+++,Ti)2Ti(PO4)4(O,F)2•14(H2O)
6.280(14.09) 100 3.490(25.50) 80 4.780(18.55) 70 Wakabayashilite [(As,Sb)6S9][As4S5]
6.280(14.09) 100 3.140(28.40) 60 3.350(26.59) 20 Sincosite Ca(V++++O)2(PO4)2•5(H2O)
6.290(14.07) 100 1.919(47.33) 60 3.138(28.42) 50 Kiddcreekite Cu6SnWS8
6.320(14.00) 100 2.744(32.61) 80 2.478(36.22) 80 Sussexite MnBO2(OH)
6.320(14.00) 100 2.478(36.22) 80 2.744(32.61) 80 Sussexite MnBO2(OH)
6.320(14.00) 100 3.280(27.16) 75 2.928(30.51) 65 Krohnkite Na2Cu(SO4)2•2(H2O)

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