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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.
|
Selected X-Ray λ |
Change X-Ray λ |
D1 Å |
D2 Å |
D3 Å |
Tolerance % |
Elements |
|---|
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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 2.174(41.50) | 100 | 1.918(47.36) | 100 | 3.330(26.75) | 100 | Genthelvite | Zn4Be3(SiO4)3S |
| 2.176(41.46) | 100 | 3.146(28.35) | 90 | 2.544(35.25) | 90 | Ungarettiite | NaNa2(Mn++2Mn+++3)Si8O22O2 |
| 2.176(41.46) | 100 | 2.544(35.25) | 90 | 3.146(28.35) | 90 | Ungarettiite | NaNa2(Mn++2Mn+++3)Si8O22O2 |
| 2.179(41.40) | 100 | 1.094(89.51) | 80 | 1.163(82.95) | 80 | Tulameenite | Pt2FeCu |
| 2.179(41.40) | 100 | 1.163(82.95) | 80 | 1.094(89.51) | 80 | Tulameenite | Pt2FeCu |
| 2.180(41.38) | 100 | 2.230(40.41) | 100 | 2.670(33.54) | 100 | Kotoite | Mg3B2O6 |
| 2.180(41.38) | 100 | 2.720(32.90) | 80 | 2.140(42.19) | 80 | Ferriallanite-(Ce) | CaCe(Fe+++,Fe++,Al)3[SiO4][Si2O7]O(OH) |
| 2.180(41.38) | 100 | 2.670(33.54) | 100 | 2.230(40.41) | 100 | Kotoite | Mg3B2O6 |
| 2.180(41.38) | 100 | 2.140(42.19) | 80 | 2.720(32.90) | 80 | Ferriallanite-(Ce) | CaCe(Fe+++,Fe++,Al)3[SiO4][Si2O7]O(OH) |
| 2.180(41.38) | 100 | 0.779(162.84) | 100 | 0.824(138.39) | 90 | Sudburyite | (Pd,Ni)Sb |
| 2.190(41.19) | 100 | 2.340(38.44) | 100 | 2.060(43.92) | 100 | Siderazot | Fe5N2 |
| 2.190(41.19) | 100 | 2.100(43.04) | 70 | 1.972(45.98) | 70 | Schreibersite | (Fe,Ni)3P |
| 2.190(41.19) | 100 | 2.060(43.92) | 100 | 1.260(75.37) | 75 | Lonsdaleite | C |
| 2.190(41.19) | 100 | 2.934(30.44) | 89 | 3.103(28.75) | 78 | Zoltaiite | BaV++++2V+++12Si2O27 |
| 2.190(41.19) | 100 | 2.090(43.25) | 80 | 1.560(59.18) | 50 | Cesarolite | PbH2Mn++++3O8 |
| 2.190(41.19) | 100 | 1.972(45.98) | 70 | 2.100(43.04) | 70 | Schreibersite | (Fe,Ni)3P |
| 2.190(41.19) | 100 | 1.560(59.18) | 80 | 1.760(51.91) | 50 | Cesarolite | PbH2Mn++++3O8 |
| 2.191(41.17) | 100 | 2.281(39.47) | 90 | 1.230(77.55) | 60 | Mertieite-II | Pd8(Sb,As)3 |
| 2.191(41.17) | 100 | 1.920(47.30) | 70 | 1.342(70.06) | 60 | Tetraferroplatinum | PtFe |
| 2.191(41.17) | 100 | 1.144(84.65) | 85 | 1.897(47.91) | 75 | Roaldite | (Fe,Ni)4N |
| 2.192(41.15) | 100 | 3.027(29.48) | 100 | 2.088(43.30) | 80 | Stumpflite | Pt(Sb,Bi) |
| 2.192(41.15) | 100 | 1.935(46.92) | 50 | 1.324(71.15) | 40 | Ferronickelplatinum | Pt2FeNi |
| 2.193(41.13) | 100 | 1.834(49.67) | 100 | 3.261(27.33) | 90 | Chukhrovite-(Y) | Ca3(Y,Ce)Al2(SO4)F13•10(H2O) |
| 2.194(41.11) | 100 | 2.270(39.67) | 100 | 1.577(58.48) | 50 | Stibiopalladinite | Pd5Sb2 |
| 2.196(41.07) | 100 | 7.840(11.28) | 90 | 1.734(52.75) | 90 | Solongoite | Ca2B3O4(OH)4Cl |
| 2.196(41.07) | 100 | 1.734(52.75) | 90 | 7.840(11.28) | 90 | Solongoite | Ca2B3O4(OH)4Cl |
| 2.197(41.05) | 100 | 2.395(37.52) | 80 | 1.271(74.61) | 30 | Miessiite | Pd11Te2Se2 |
| 2.200(40.99) | 100 | 3.780(23.52) | 70 | 4.260(20.83) | 50 | Tsnigriite | Ag9SbTe3(S,Se)3 |
| 2.200(40.99) | 100 | 2.270(39.67) | 100 | 1.580(58.36) | 70 | Stannopalladinite | (Pd,Cu)3Sn2 (?) |
| 2.209(40.82) | 100 | 2.746(32.58) | 100 | 2.090(43.25) | 90 | Hsianghualite | Ca3Li2Be3(SiO4)3F2 |
| 2.210(40.80) | 100 | 2.830(31.59) | 92 | 2.250(40.04) | 87 | Karlite | (Mg,Al)6(BO3)3(OH,Cl)4 |
| 2.211(40.78) | 100 | 1.910(47.57) | 100 | 4.520(19.62) | 100 | Hongshiite | PtCu |
| 2.217(40.66) | 100 | 2.139(42.21) | 81 | 2.258(39.89) | 46 | Andreyivanovite | FeCrP |
| 2.217(40.66) | 100 | 1.920(47.30) | 50 | 1.157(83.48) | 45 | Iridium | (Ir,Os,Ru,Pt) |
| 2.218(40.64) | 100 | 2.159(41.80) | 57 | 3.087(28.90) | 38 | Yuanjiangite | AuSn |
| 2.220(40.60) | 100 | 2.520(35.60) | 42 | 2.980(29.96) | 25 | Kolymite | Cu7Hg6 |
| 2.220(40.60) | 100 | 1.986(45.64) | 40 | 2.500(35.89) | 40 | Palarstanide | Pd8(Sn,As)3 |
| 2.220(40.60) | 100 | 2.380(37.77) | 100 | 1.240(76.81) | 80 | Goldamalgam | (Au,Ag)Hg |
| 2.220(40.60) | 100 | 2.710(33.03) | 100 | 2.290(39.31) | 80 | Marokite | CaMn+++2O4 |
| 2.220(40.60) | 100 | 2.500(35.89) | 40 | 1.986(45.64) | 40 | Palarstanide | Pd8(Sn,As)3 |
| 2.220(40.60) | 100 | 2.980(29.96) | 100 | 5.740(15.42) | 90 | Svanbergite | SrAl3(PO4)(SO4)(OH)6 |
| 2.221(40.59) | 100 | 2.523(35.55) | 100 | 2.227(40.47) | 100 | Belendorffite | Cu7Hg6 |
| 2.221(40.59) | 100 | 2.227(40.47) | 100 | 2.523(35.55) | 100 | Belendorffite | Cu7Hg6 |
| 2.222(40.57) | 100 | 4.710(18.83) | 90 | 4.350(20.40) | 70 | Bayerite | Al(OH)3 |
| 2.223(40.55) | 100 | 2.568(34.91) | 60 | 1.571(58.72) | 60 | Manganosite | MnO |
| 2.223(40.55) | 100 | 1.571(58.72) | 60 | 2.568(34.91) | 60 | Manganosite | MnO |
| 2.227(40.47) | 100 | 2.221(40.59) | 100 | 2.523(35.55) | 100 | Belendorffite | Cu7Hg6 |
| 2.230(40.41) | 100 | 1.940(46.79) | 70 | 1.920(47.30) | 70 | Auricupride | Cu3Au |
| 2.230(40.41) | 100 | 2.180(41.38) | 100 | 2.670(33.54) | 100 | Kotoite | Mg3B2O6 |
| 2.230(40.41) | 100 | 2.300(39.13) | 100 | 1.207(79.31) | 60 | Plumbopalladinite | Pd3Pb2 |
| 2.230(40.41) | 100 | 1.920(47.30) | 70 | 1.940(46.79) | 70 | Auricupride | Cu3Au |
| 2.232(40.38) | 100 | 2.485(36.12) | 90 | 2.083(43.41) | 90 | Palladobismutharsenide | Pd2(As,Bi) |
| 2.232(40.38) | 100 | 2.083(43.41) | 90 | 2.485(36.12) | 90 | Palladobismutharsenide | Pd2(As,Bi) |
| 2.233(40.36) | 100 | 2.045(44.25) | 68 | 1.923(47.23) | 42 | Barringerite | (Fe,Ni)2P |
| 2.237(40.28) | 100 | 1.306(72.29) | 50 | 2.090(43.25) | 40 | Telluropalladinite | Pd9Te4 |
| 2.237(40.28) | 100 | 2.067(43.76) | 80 | 2.426(37.02) | 70 | Rhodarsenide | (Rh,Pd)2As |
| 2.237(40.28) | 100 | 6.730(13.14) | 70 | 2.975(30.01) | 60 | Parasibirskite | Ca2B2O5•(H2O) |
| 2.238(40.26) | 100 | 2.120(42.61) | 80 | 2.073(43.63) | 70 | Allabogdanite | (Fe,Ni)2P |
| 2.238(40.26) | 100 | 2.970(30.06) | 90 | 3.150(28.31) | 80 | Jordanite | Pb14(As,Sb)6S23 |
| 2.240(40.23) | 100 | 1.331(70.72) | 30 | 2.364(38.03) | 30 | Titanium | Ti |
| 2.240(40.23) | 100 | 2.364(38.03) | 30 | 1.331(70.72) | 30 | Titanium | Ti |
| 2.240(40.23) | 100 | 1.195(80.27) | 100 | 0.797(150.24) | 90 | Tetra-auricupride | AuCu |
| 2.240(40.23) | 100 | 1.819(50.11) | 100 | 3.170(28.13) | 100 | Argentite | Ag2S |
| 2.241(40.21) | 100 | 1.708(53.61) | 92 | 2.743(32.62) | 77 | Pertsevite | Mg2(BO3)F |
| 2.241(40.21) | 100 | 4.210(21.08) | 100 | 1.726(53.01) | 75 | Gatumbaite | CaAl2(PO4)2(OH)2•(H2O) |
| 2.243(40.17) | 100 | 0.940(110.06) | 90 | 1.359(69.05) | 80 | Weishanite | (Au,Ag)3Hg2 |
| 2.245(40.13) | 100 | 0.858(127.73) | 56 | 2.057(43.98) | 52 | Naldretteite | Pd2Sb |
| 2.246(40.11) | 100 | 3.072(29.04) | 100 | 2.112(42.78) | 80 | Laitakarite | Bi4(Se,S)3 |
| 2.246(40.11) | 100 | 1.945(46.66) | 42 | 1.376(68.08) | 25 | Palladium | Pd,Pt |
| 2.250(40.04) | 100 | 1.299(72.74) | 80 | 1.920(47.30) | 60 | Damiaoite | PtIn2 |
| 2.250(40.04) | 70 | 1.819(50.11) | 70 | 4.740(18.70) | 70 | Fullerite | C60 |
| 2.251(40.02) | 100 | 3.093(28.84) | 40 | 2.127(42.46) | 20 | Poubaite | PbBi2Se2(Te,S)2 |
| 2.252(4-) | 100 | 2.272(39.64) | 100 | 1.737(52.65) | 95 | Chondrodite | (Mg,Fe++)5(SiO4)2(F,OH)2 |
| 2.256(39.93) | 100 | 2.438(36.84) | 70 | 1.479(62.77) | 70 | Humite | (Mg,Fe++)7(SiO4)3(F,OH)2 |
| 2.256(39.93) | 100 | 1.479(62.77) | 70 | 2.438(36.84) | 70 | Humite | (Mg,Fe++)7(SiO4)3(F,OH)2 |
| 2.259(39.87) | 100 | 2.078(43.52) | 100 | 2.702(33.13) | 90 | Kutinaite | Cu14Ag6As7 |
| 2.260(39.86) | 100 | 3.070(29.06) | 100 | 2.110(42.82) | 90 | Sobolevskite | PdBi |
| 2.260(39.86) | 100 | 2.160(41.78) | 90 | 0.791(153.71) | 40 | Keithconnite | Pd3-xTe(x=0.14 to 0.43) |
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