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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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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 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 | 1.469(63.25) | 90 | 2.366(38.00) | 90 | Satpaevite | Al12V++++2V+++++6O37•30(H2O) |
| 1.926(47.15) | 100 | 2.366(38.00) | 90 | 1.469(63.25) | 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 | 3.180(28.04) | 60 | 2.740(32.65) | 50 | Bornite | Cu5FeS4 |
| 1.937(46.86) | 100 | 3.210(27.77) | 100 | 2.010(45.07) | 90 | Huanghoite-(Ce) | BaCe(CO3)2F |
| 1.940(46.79) | 100 | 1.720(53.21) | 60 | 2.920(30.59) | 40 | Geversite | Pt(Sb,Bi)2 |
| 1.940(46.79) | 100 | 4.086(21.73) | 51 | 2.436(36.87) | 39 | Stalderite | TlCu(Zn,Fe,Hg)2As2S6 |
| 1.941(46.76) | 100 | 2.747(32.57) | 95 | 3.883(22.88) | 60 | Cryolite | Na3AlF6 |
| 1.942(46.74) | 100 | 2.630(34.06) | 100 | 2.530(35.45) | 80 | Oenite | CoSbAs |
| 1.945(46.66) | 100 | 3.020(29.55) | 100 | 2.400(37.44) | 100 | Chvilevaite | Na(Cu,Fe,Zn)2S2 |
| 1.945(46.66) | 100 | 2.400(37.44) | 100 | 3.020(29.55) | 100 | Chvilevaite | Na(Cu,Fe,Zn)2S2 |
| 1.948(46.58) | 100 | 2.780(32.17) | 100 | 3.430(25.96) | 75 | Bastnasite-(Y) | Y(CO3)F |
| 1.952(46.48) | 100 | 3.180(28.04) | 100 | 1.671(54.90) | 50 | Mgriite | (Cu,Fe)3AsSe3 |
| 1.955(46.41) | 100 | 1.735(52.71) | 80 | 1.250(76.08) | 80 | Mayingite | IrBiTe |
| 1.955(46.41) | 100 | 1.250(76.08) | 80 | 1.735(52.71) | 80 | Mayingite | IrBiTe |
| 1.956(46.38) | 100 | 2.842(31.45) | 81 | 1.611(57.13) | 23 | Vavrinite | Ni2SbTe2 |
| 1.956(46.38) | 100 | 3.104(28.74) | 68 | 2.759(32.42) | 53 | Pizgrischite | (Cu,Fe)Cu14PbBi17S35 |
| 1.956(46.38) | 100 | 2.742(32.63) | 100 | 2.688(33.30) | 80 | Chrisstanleyite | Ag2Pd3Se4 |
| 1.960(46.28) | 100 | 4.290(20.69) | 80 | 2.210(40.80) | 80 | Cryolithionite | Na3Li3Al2F12 |
| 1.960(46.28) | 100 | 3.190(27.95) | 95 | 1.671(54.90) | 80 | Eskebornite | CuFeSe2 |
| 1.960(46.28) | 100 | 2.210(40.80) | 80 | 4.290(20.69) | 80 | Cryolithionite | Na3Li3Al2F12 |
| 1.960(46.28) | 100 | 2.770(32.29) | 65 | 3.200(27.86) | 57 | Anilite | Cu7S4 |
| 1.965(46.16) | 100 | 3.058(29.18) | 100 | 3.240(27.51) | 100 | Fergusonite-beta-(Ce) | (Ce,La,Nd)NbO4 |
| 1.965(46.16) | 100 | 3.240(27.51) | 100 | 3.058(29.18) | 100 | Fergusonite-beta-(Ce) | (Ce,La,Nd)NbO4 |
| 1.968(46.08) | 100 | 1.390(67.31) | 82 | 2.390(37.60) | 50 | Magnesiostaurolite | [ ]4Mg4Al16(Al,[ ])2Si8O40[O6,(OH)2] |
| 1.973(45.96) | 100 | 3.210(27.77) | 40 | 2.790(32.05) | 40 | Digenite | Cu9S5 |
| 1.973(45.96) | 100 | 2.790(32.05) | 40 | 3.210(27.77) | 40 | Digenite | Cu9S5 |
| 1.976(45.89) | 100 | 1.297(72.87) | 60 | 2.087(43.32) | 60 | Hexaferrum | (Fe,Os,Ru,Ir) |
| 1.976(45.89) | 100 | 2.087(43.32) | 60 | 1.297(72.87) | 60 | Hexaferrum | (Fe,Os,Ru,Ir) |
| 1.977(45.86) | 100 | 1.924(47.20) | 100 | 2.150(41.99) | 65 | Perryite | (Ni,Fe)8(Si,P)3 |
| 1.977(45.86) | 100 | 1.918(47.36) | 100 | 2.110(42.82) | 40 | Orcelite | Ni5-xAs2 (x=0.23) |
| 1.980(45.79) | 100 | 1.892(48.05) | 100 | 3.080(28.97) | 100 | Hypercinnabar | HgS |
| 1.982(45.74) | 100 | 2.917(30.62) | 90 | 2.846(31.41) | 60 | Larosite | (Cu,Ag)21(Pb,Bi)2S13 |
| 1.988(45.59) | 100 | 2.650(33.80) | 100 | 2.190(41.19) | 70 | Majakite | PdNiAs |
| 1.989(45.57) | 100 | 2.110(42.82) | 40 | 2.250(40.04) | 20 | Algodonite | Cu6As |
| 1.990(45.55) | 100 | 2.700(33.15) | 80 | 2.960(30.17) | 80 | Insizwaite | Pt(Bi,Sb)2 |
| 1.990(45.55) | 100 | 2.435(36.88) | 100 | 1.420(65.70) | 60 | Surinamite | (Mg,Fe++)3Al4BeSi3O16 |
| 1.990(45.55) | 100 | 2.960(30.17) | 80 | 2.700(33.15) | 80 | Insizwaite | Pt(Bi,Sb)2 |
| 1.991(45.52) | 100 | 1.196(80.19) | 100 | 1.817(50.17) | 90 | Fersilicite | FeSi |
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