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 > 1.86396 AND d1 < 1.94004)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
1.867(48.73) 100 1.593(57.83) 99 2.642(33.90) 65 Plumbomicrolite (Pb,Ca,U)2Ta2O6(OH)
1.867(48.73) 100 3.445(25.84) 100 1.970(46.03) 90 Calciborite CaB2O4
1.870(48.65) 100 3.040(29.36) 100 1.590(57.95) 50 Arsenosulvanite Cu3(As,V)S4
1.871(48.62) 100 2.387(37.65) 90 1.964(46.18) 90 Djurleite Cu31S16
1.871(48.62) 100 1.964(46.18) 90 2.387(37.65) 90 Djurleite Cu31S16
1.873(48.57) 100 1.618(56.86) 100 2.645(33.86) 100 Zavaritskite BiOF
1.874(48.54) 100 1.471(63.15) 69 2.365(38.02) 69 Brizziite-III NaSb+++++O3
1.874(48.54) 100 1.471(63.15) 69 2.365(38.02) 69 Brizziite-VII NaSb+++++O3
1.874(48.54) 100 2.365(38.02) 69 1.471(63.15) 69 Brizziite-III NaSb+++++O3
1.874(48.54) 100 2.365(38.02) 69 1.471(63.15) 69 Brizziite-VII NaSb+++++O3
1.875(48.51) 100 3.198(27.87) 100 2.041(44.35) 81 Palladseite Pd17Se15
1.875(48.51) 100 2.930(30.48) 80 1.812(50.31) 70 Luberoite Pt5Se4
1.877(48.46) 100 1.959(46.31) 90 1.998(45.35) 80 Novakite (Cu,Ag)21As10
1.880(48.37) 100 2.403(37.39) 70 1.975(45.91) 70 Chalcocite Cu2S
1.880(48.37) 100 1.975(45.91) 70 2.403(37.39) 70 Chalcocite Cu2S
1.886(48.21) 100 2.670(33.54) 100 7.570(11.68) 100 Borcarite Ca4MgB4O6(OH)6(CO3)2
1.886(48.21) 100 7.570(11.68) 100 2.670(33.54) 100 Borcarite Ca4MgB4O6(OH)6(CO3)2
1.887(48.18) 100 4.897(18.10) 100 2.342(38.40) 88 Zincalstibite Zn2AlSb(OH)12
1.890(48.10) 100 2.000(45.30) 90 1.830(49.79) 90 Synchysite-(Y) CaY(CO3)2F
1.890(48.10) 100 3.700(24.03) 80 3.180(28.04) 60 Gerasimovskite (Mn,Ca)(Nb,Ti)5O12•9(H2O) (?)
1.890(48.10) 100 3.280(27.16) 90 2.540(35.31) 60 Eglestonite Hg6Cl3O(OH) (?)
1.890(48.10) 100 1.830(49.79) 90 2.000(45.30) 90 Synchysite-(Y) CaY(CO3)2F
1.892(48.05) 100 3.080(28.97) 100 1.980(45.79) 100 Hypercinnabar HgS
1.892(48.05) 100 3.790(23.45) 100 1.870(48.65) 80 Osarsite (Os,Ru)AsS
1.892(48.05) 100 1.980(45.79) 100 3.080(28.97) 100 Hypercinnabar HgS
1.899(47.86) 100 3.061(29.15) 55 2.767(32.33) 35 Yarrowite Cu9S8
1.900(47.83) 100 1.672(54.86) 100 2.440(36.80) 100 Malyshevite PdCuBiS3
1.900(47.83) 100 2.600(34.47) 100 2.500(35.89) 100 Hastite CoSe2
1.900(47.83) 100 2.500(35.89) 100 2.600(34.47) 100 Hastite CoSe2
1.902(47.78) 100 3.335(26.71) 80 2.903(30.77) 75 Reinhardbraunsite Ca5(SiO4)2(OH,F)2
1.904(47.73) 100 3.110(28.68) 80 1.625(56.59) 40 Chatkalite Cu6Fe++Sn2S8
1.904(47.73) 100 1.659(55.33) 63 3.034(29.41) 62 Kumtyubeite Ca5(SiO4)2F2
1.910(47.57) 100 4.520(19.62) 100 2.211(40.78) 100 Hongshiite PtCu
1.910(47.57) 100 3.076(29.00) 85 2.777(32.21) 30 Spionkopite Cu1.4S
1.910(47.57) 100 2.211(40.78) 100 4.520(19.62) 100 Hongshiite PtCu
1.910(47.57) 100 2.728(32.80) 74 3.041(29.35) 65 Chegemite Ca7(SiO4)3(OH)2
1.915(47.44) 100 2.630(34.06) 100 2.670(33.54) 80 Omeiite (Os,Ru)As2
1.916(47.41) 100 2.310(38.96) 100 2.047(44.21) 99 Ekaterinite Ca2B4O7(Cl,OH)2•2(H2O)
1.918(47.36) 100 3.330(26.75) 100 2.174(41.50) 100 Genthelvite Zn4Be3(SiO4)3S
1.918(47.36) 100 2.174(41.50) 100 3.330(26.75) 100 Genthelvite Zn4Be3(SiO4)3S
1.918(47.36) 100 2.710(33.03) 50 3.830(23.20) 35 Neighborite NaMgF3
1.918(47.36) 100 1.977(45.86) 100 2.110(42.82) 40 Orcelite Ni5-xAs2 (x=0.23)
1.920(47.30) 100 1.095(89.41) 90 1.501(61.75) 90 Anduoite (Ru,Os)As2
1.920(47.30) 100 1.501(61.75) 90 1.095(89.41) 90 Anduoite (Ru,Os)As2
1.924(47.20) 100 1.977(45.86) 100 2.150(41.99) 65 Perryite (Ni,Fe)8(Si,P)3
1.925(47.17) 100 3.145(28.35) 90 3.282(27.15) 90 Geffroyite (Ag,Cu,Fe)9(Se,S)8
1.925(47.17) 100 3.282(27.15) 90 3.145(28.35) 90 Geffroyite (Ag,Cu,Fe)9(Se,S)8
1.926(47.15) 100 2.366(38.00) 90 1.469(63.25) 90 Satpaevite Al12V++++2V+++++6O37•30(H2O)
1.926(47.15) 100 1.469(63.25) 90 2.366(38.00) 90 Satpaevite Al12V++++2V+++++6O37•30(H2O)
1.930(47.04) 100 8.120(10.89) 60 2.920(30.59) 60 Bultfonteinite Ca2SiO2(OH,F)4
1.930(47.04) 100 3.270(27.25) 100 2.980(29.96) 100 Juanite Ca10Mg4Al2Si11O39•4(H2O) (?)
1.930(47.04) 100 1.132(85.76) 90 1.235(77.17) 80 Gaotaiite Ir3Te8
1.930(47.04) 100 2.920(30.59) 60 8.120(10.89) 60 Bultfonteinite Ca2SiO2(OH,F)4
1.930(47.04) 100 2.980(29.96) 100 3.270(27.25) 100 Juanite Ca10Mg4Al2Si11O39•4(H2O) (?)
1.931(47.02) 100 3.153(28.28) 94 1.647(55.77) 35 Fluorite CaF2
1.932(46.99) 100 2.916(30.63) 60 1.684(54.44) 45 Jaipurite CoS
1.933(46.97) 100 2.375(37.85) 90 1.857(49.01) 80 Roxbyite Cu1.78S
1.937(46.86) 100 3.210(27.77) 100 2.010(45.07) 90 Huanghoite-(Ce) BaCe(CO3)2F
1.937(46.86) 100 3.180(28.04) 60 2.740(32.65) 50 Bornite Cu5FeS4
1.940(46.79) 100 4.086(21.73) 51 2.436(36.87) 39 Stalderite TlCu(Zn,Fe,Hg)2As2S6
1.940(46.79) 100 1.720(53.21) 60 2.920(30.59) 40 Geversite Pt(Sb,Bi)2

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