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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 |
| 1.880(48.37) | 100 | 1.975(45.91) | 70 | 2.403(37.39) | 70 | Chalcocite | Cu2S |
| 1.880(48.37) | 100 | 2.403(37.39) | 70 | 1.975(45.91) | 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 | 1.830(49.79) | 90 | 2.000(45.30) | 90 | Synchysite-(Y) | CaY(CO3)2F |
| 1.890(48.10) | 100 | 3.280(27.16) | 90 | 2.540(35.31) | 60 | Eglestonite | Hg6Cl3O(OH) (?) |
| 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 | 2.000(45.30) | 90 | 1.830(49.79) | 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 | 2.500(35.89) | 100 | 2.600(34.47) | 100 | Hastite | CoSe2 |
| 1.900(47.83) | 100 | 2.600(34.47) | 100 | 2.500(35.89) | 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 | 2.728(32.80) | 74 | 3.041(29.35) | 65 | Chegemite | Ca7(SiO4)3(OH)2 |
| 1.910(47.57) | 100 | 2.211(40.78) | 100 | 4.520(19.62) | 100 | Hongshiite | PtCu |
| 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 | 1.977(45.86) | 100 | 2.110(42.82) | 40 | Orcelite | Ni5-xAs2 (x=0.23) |
| 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 |
| 1.920(47.30) | 100 | 1.501(61.75) | 90 | 1.095(89.41) | 90 | Anduoite | (Ru,Os)As2 |
| 1.920(47.30) | 100 | 1.095(89.41) | 90 | 1.501(61.75) | 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 | 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 | 2.920(30.59) | 60 | 8.120(10.89) | 60 | Bultfonteinite | Ca2SiO2(OH,F)4 |
| 1.930(47.04) | 100 | 1.132(85.76) | 90 | 1.235(77.17) | 80 | Gaotaiite | Ir3Te8 |
| 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 |
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