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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 |
| 2.115(42.72) | 100 | 2.355(38.18) | 80 | 1.351(69.52) | 50 | Stillwaterite | Pd8As3 |
| 2.116(42.70) | 40 | 2.325(38.70) | 40 | 4.373(20.29) | 40 | Tischendorfite | Pd8Hg3Se9 |
| 2.116(42.70) | 40 | 4.373(20.29) | 40 | 2.325(38.70) | 40 | Tischendorfite | Pd8Hg3Se9 |
| 2.116(42.70) | 40 | 4.373(20.29) | 40 | 4.819(18.40) | 40 | Tischendorfite | Pd8Hg3Se9 |
| 2.118(42.65) | 100 | 3.456(25.76) | 100 | 1.804(50.55) | 60 | Cameronite | AgCu7Te10 |
| 2.119(42.63) | 100 | 2.314(38.89) | 100 | 1.991(45.52) | 70 | Oregonite | Ni2FeAs2 |
| 2.120(42.61) | 100 | 2.449(36.66) | 72 | 1.500(61.80) | 45 | Osbornite | TiN |
| 2.122(42.57) | 100 | 0.867(125.36) | 100 | 0.802(147.66) | 70 | Skaergaardite | CuPd |
| 2.124(42.53) | 100 | 2.230(40.41) | 97 | 1.911(47.54) | 44 | IMA2007-036 | TiFeSi2 |
| 2.130(42.40) | 100 | 7.610(11.62) | 100 | 2.970(30.06) | 90 | Uralborite | CaB2O2(OH)4 |
| 2.130(42.40) | 100 | 1.800(50.67) | 100 | 1.590(57.95) | 100 | Lindsleyite | (Ba,Sr)(Ti,Cr,Fe,Mg)21O38 |
| 2.130(42.40) | 100 | 1.224(78.00) | 80 | 1.059(93.33) | 40 | Bortnikovite | Pd4Cu3Zn |
| 2.130(42.40) | 100 | 1.220(78.30) | 100 | 1.350(69.58) | 60 | Osmium | (Os,Ir) |
| 2.130(42.40) | 100 | 2.340(38.44) | 60 | 1.410(66.23) | 40 | Arsenopalladinite | Pd8(As,Sb)3 |
| 2.131(42.38) | 100 | 2.875(31.08) | 100 | 3.390(26.27) | 100 | Crichtonite | (Sr,La,Ce,Y)(Ti,Fe+++,Mn)21O38 |
| 2.131(42.38) | 100 | 3.390(26.27) | 100 | 2.875(31.08) | 100 | Crichtonite | (Sr,La,Ce,Y)(Ti,Fe+++,Mn)21O38 |
| 2.134(42.32) | 100 | 3.010(29.65) | 100 | 1.510(61.34) | 100 | Nabiasite | BaMn9[(V,As)O4]6(OH)2 |
| 2.134(42.32) | 100 | 2.332(38.58) | 100 | 3.010(29.65) | 100 | Nabiasite | BaMn9[(V,As)O4]6(OH)2 |
| 2.134(42.32) | 100 | 3.010(29.65) | 100 | 2.332(38.58) | 100 | Nabiasite | BaMn9[(V,As)O4]6(OH)2 |
| 2.138(42.23) | 100 | 1.305(72.35) | 70 | 3.657(24.32) | 60 | Nielsenite | PdCu3 |
| 2.138(42.23) | 100 | 1.860(48.93) | 70 | 1.305(72.35) | 60 | Nielsenite | PdCu3 |
| 2.140(42.19) | 100 | 1.625(56.59) | 100 | 2.102(42.99) | 60 | Pseudosinhalite | Mg2Al3B2O9(OH) |
| 2.140(42.19) | 100 | 1.620(56.78) | 100 | 2.950(30.27) | 100 | Bismutite | Bi2(CO3)O2 |
| 2.140(42.19) | 100 | 1.620(56.78) | 90 | 3.240(27.51) | 70 | Sinhalite | MgAlBO4 |
| 2.140(42.19) | 100 | 1.440(64.68) | 100 | 2.250(40.04) | 90 | Mathiasite | (K,Ca,Sr)(Ti,Cr,Fe,Mg)21O38 |
| 2.140(42.19) | 100 | 2.210(40.80) | 90 | 2.600(34.47) | 70 | Palladoarsenide | Pd2As |
| 2.144(42.11) | 100 | 1.081(90.89) | 80 | 1.529(60.50) | 70 | Hongquiite | TiO |
| 2.146(42.07) | 100 | 1.518(60.99) | 80 | 2.476(36.25) | 70 | Wustite | FeO |
| 2.150(41.99) | 100 | 2.050(44.14) | 100 | 1.486(62.44) | 100 | Niggliite | PtSn |
| 2.150(41.99) | 100 | 2.290(39.31) | 55 | 2.360(38.10) | 40 | Taimyrite | (Pd,Cu,Pt)3Sn |
| 2.151(41.97) | 100 | 2.356(38.17) | 100 | 1.863(48.85) | 80 | Haxonite | (Fe,Ni)23C6 |
| 2.156(41.87) | 100 | 3.043(29.33) | 80 | 7.030(12.58) | 60 | Henryite | Cu4Ag3Te4 |
| 2.160(41.78) | 100 | 3.930(22.61) | 75 | 2.780(32.17) | 63 | Antarcticite | CaCl2•6(H2O) |
| 2.160(41.78) | 100 | 2.550(35.16) | 80 | 3.030(29.45) | 70 | Stutzite | Ag5-xTe3,(x=0.24-0.36) |
| 2.163(41.72) | 100 | 1.516(61.07) | 100 | 3.190(27.95) | 100 | Babefphite | BaBe(PO4)(F,O) |
| 2.163(41.72) | 100 | 1.299(72.74) | 100 | 1.529(60.50) | 80 | Khamrabaevite | (Ti,V,Fe)C |
| 2.166(41.66) | 100 | 3.387(26.29) | 100 | 1.925(47.17) | 80 | Stenonite | (Sr,Ba,Na)2Al(CO3)F5 |
| 2.167(41.64) | 100 | 2.356(38.17) | 90 | 0.860(127.19) | 80 | Isomertieite | Pd11Sb2As2 |
| 2.170(41.58) | 100 | 1.955(46.41) | 70 | 1.995(45.42) | 70 | Nickelphosphide | (Ni,Fe)3P |
| 2.170(41.58) | 100 | 1.995(45.42) | 70 | 1.955(46.41) | 70 | Nickelphosphide | (Ni,Fe)3P |
| 2.172(41.54) | 100 | 2.708(33.05) | 100 | 2.648(33.82) | 90 | Crawfordite | Na3Sr(PO4)(CO3) |
| 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 | 2.140(42.19) | 80 | 2.720(32.90) | 80 | Ferriallanite-(Ce) | CaCe(Fe+++,Fe++,Al)3[SiO4][Si2O7]O(OH) |
| 2.180(41.38) | 100 | 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 | 0.779(162.84) | 100 | 0.824(138.39) | 90 | Sudburyite | (Pd,Ni)Sb |
| 2.190(41.19) | 100 | 2.060(43.92) | 100 | 1.260(75.37) | 75 | Lonsdaleite | C |
| 2.190(41.19) | 100 | 2.100(43.04) | 70 | 1.972(45.98) | 70 | Schreibersite | (Fe,Ni)3P |
| 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 |
| 2.190(41.19) | 100 | 2.090(43.25) | 80 | 1.560(59.18) | 50 | Cesarolite | PbH2Mn++++3O8 |
| 2.190(41.19) | 100 | 2.934(30.44) | 89 | 3.103(28.75) | 78 | Zoltaiite | BaV++++2V+++12Si2O27 |
| 2.190(41.19) | 100 | 2.340(38.44) | 100 | 2.060(43.92) | 100 | Siderazot | Fe5N2 |
| 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 | 1.935(46.92) | 50 | 1.324(71.15) | 40 | Ferronickelplatinum | Pt2FeNi |
| 2.192(41.15) | 100 | 3.027(29.48) | 100 | 2.088(43.30) | 80 | Stumpflite | Pt(Sb,Bi) |
| 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 |
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