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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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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 |
| 5.926(14.94) | 100 | 6.773(13.06) | 63 | 5.034(17.60) | 58 | Metarossite | CaV2O6•2(H2O) |
| 5.930(14.93) | 100 | 3.490(25.50) | 90 | 2.360(38.10) | 70 | Cesbronite-x | Cu5(TeO3)2(OH)6•2(H2O) |
| 5.930(14.93) | 100 | 2.360(38.10) | 90 | 4.890(18.13) | 70 | Cesbronite-x | Cu5(TeO3)2(OH)6•2(H2O) |
| 5.930(14.93) | 100 | 3.650(24.37) | 100 | 2.968(30.08) | 80 | Whewellite | Ca(C2O4)•(H2O) |
| 5.934(14.92) | 100 | 3.490(25.50) | 92 | 4.889(18.13) | 71 | Cesbronite | Cu5(TeO3)2(OH)6•2(H2O) |
| 5.940(14.90) | 100 | 2.970(30.06) | 43 | 5.210(17.00) | 37 | Schertelite | (NH4)2MgH2(PO4)2•4(H2O) |
| 5.940(14.90) | 100 | 2.966(30.10) | 100 | 3.100(28.77) | 90 | Ferritungstite | (K,Ca,Na)(W++++++,Fe+++)2(O,OH)6•(H2O) |
| 5.943(14.89) | 100 | 3.233(27.57) | 100 | 3.067(29.09) | 60 | Paganoite | (Ni,Co)BiAsO5 |
| 5.943(14.89) | 100 | 3.169(28.14) | 65 | 9.485(9.32) | 44 | Ruifrancoite | Ca2([ ],Mn)2(Fe+++,Mn,Mg)4Be4(PO4)6(OH)4•6H2O |
| 5.943(14.89) | 100 | 4.816(18.41) | 65 | 3.169(28.14) | 44 | Ruifrancoite | Ca2([ ],Mn)2(Fe+++,Mn,Mg)4Be4(PO4)6(OH)4•6H2O |
| 5.950(14.88) | 100 | 3.010(29.65) | 90 | 6.460(13.70) | 80 | Paraumbite | K3Zr2HSi6O18•n(H2O) n=3 to 7 |
| 5.960(14.85) | 100 | 9.580(9.22) | 90 | 3.180(28.04) | 70 | Roscherite | Ca(Mn++,Fe++)5Be4(PO4)6(OH)4•6(H2O) |
| 5.970(14.83) | 4.330(20.49) | 4.210(21.08) | Kumdykolite | NaAlSi3O8 | |||
| 5.970(14.83) | 100 | 6.110(14.48) | 80 | 3.090(28.87) | 70 | Nabesite | Na2BeSi4O10•4(H2O) |
| 5.980(14.80) | 100 | 9.480(9.32) | 90 | 3.152(28.29) | 90 | Guimaraesite | Ca2(Zn,Mg,Fe)5Be4(PO4)6(OH)4•6H2O |
| 5.980(14.80) | 100 | 3.152(28.29) | 90 | 9.480(9.32) | 90 | Guimaraesite | Ca2(Zn,Mg,Fe)5Be4(PO4)6(OH)4•6H2O |
| 5.990(14.78) | 100 | 3.580(24.85) | 90 | 5.471(16.19) | 70 | Melanophlogite | SiO2•n(C,H,O,S) |
| 5.998(14.76) | 100 | 9.575(9.23) | 53 | 3.192(27.93) | 44 | Footemineite | Ca2Mn++Mn++2Mn++2Be4(PO4)6(OH)4•6H2O |
| 6.006(14.74) | 100 | 3.003(29.73) | 70 | 3.047(29.29) | 60 | Olmsteadite | KFe++2(Nb,Ta)(PO4)2O2•2(H2O) |
| 6.010(14.73) | 100 | 3.005(29.71) | 80 | 3.054(29.22) | 70 | Johnwalkite | K(Mn++,Fe+++,Fe++)2(Nb,Ta)(PO4)2O2((H2O),OH)2 |
| 6.015(14.71) | 100 | 3.694(24.07) | 67 | 2.140(42.19) | 30 | Mcguinnessite | (Mg,Cu)2(CO3)(OH)2 |
| 6.020(14.70) | 100 | 7.840(11.28) | 100 | 3.250(27.42) | 80 | Sitinakite | Na2K(Ti,Nb)4O4(SiO4)2(O,OH)•4(H2O) |
| 6.023(14.70) | 100 | 3.365(26.47) | 68 | 2.943(30.35) | 55 | Ramanite-(Cs) | Cs[B5O6(OH)4]•2H2O |
| 6.030(14.68) | 100 | 3.330(26.75) | 80 | 6.710(13.18) | 80 | Nielsbohrite | K(UO2)3(AsO4)(OH)4•H2O |
| 6.030(14.68) | 100 | 6.710(13.18) | 80 | 3.330(26.75) | 80 | Nielsbohrite | K(UO2)3(AsO4)(OH)4•H2O |
| 6.046(14.64) | 100 | 12.070(7.32) | 100 | 4.040(21.98) | 90 | Arakiite | (Zn,Mn++)(Mn++,Mg)12(Fe+++,Al)2(AsO3)(AsO4)2(OH)23 |
| 6.046(14.64) | 100 | 3.324(26.80) | 59 | 6.915(12.79) | 26 | Vajdakite | [(MoO2)2(H2O)2As2O5]•(H2O) |
| 6.060(14.61) | 100 | 2.980(29.96) | 90 | 3.970(22.38) | 80 | Natrosilite | Na2Si2O5 |
| 6.068(14.59) | 100 | 3.265(27.29) | 90 | 3.023(29.52) | 50 | Gainesite | Na2Zr2Be(PO4)4•1-2(H2O) |
| 6.071(14.58) | 100 | 3.920(22.66) | 100 | 3.755(23.67) | 100 | Pentagonite | Ca(VO)Si4O10•4(H2O) |
| 6.077(14.56) | 100 | 5.618(15.76) | 90 | 9.535(9.27) | 80 | Nevadaite | (Cu++,[ ],Al,V+++)6[Al8(PO4)8F8] (H2O)23 |
| 6.084(14.55) | 100 | 3.858(23.03) | 90 | 3.471(25.64) | 80 | Frolovite | CaB2(OH)8 |
| 6.101(14.51) | 100 | 5.621(15.75) | 91 | 9.515(9.29) | 67 | Cloncurryite | [Cu0.56(VO)0.44]Al2(PO4)2(F,OH)•2.5H2O) |
| 6.110(14.48) | 100 | 4.500(19.71) | 90 | 3.179(28.04) | 70 | Moydite-(Y) | YB(OH)4(CO3) |
| 6.110(14.48) | 100 | 3.164(28.18) | 65 | 2.346(38.34) | 53 | Boehmite | AlO(OH) |
| 6.110(14.48) | 100 | 4.330(20.49) | 100 | 2.720(32.90) | 80 | Epistolite | (Na,[ ])2{(Na,Ti)4[Nb2(O,H2O)4Si4O14](OH,F)2}•2H2O |
| 6.140(14.41) | 100 | 4.381(20.25) | 80 | 3.516(25.31) | 60 | Kamphaugite-(Y) | (Ca1.84REEx)(Y1.46REE0.54-x)(CO3)4(OH)1.65•2(H2O) |
| 6.150(14.39) | 100 | 2.277(39.55) | 45 | 1.830(49.79) | 25 | Molybdenite | MoS2 |
| 6.158(14.37) | 100 | 3.076(29.00) | 60 | 10.180(8.68) | 40 | Mantienneite | KMg2Al2Ti(PO4)4(OH)3•15(H2O) |
| 6.160(14.37) | 100 | 3.010(29.65) | 100 | 2.776(32.22) | 100 | Ungursaite | NaCa5(Ta,Nb)24O65(OH) |
| 6.161(14.36) | 100 | 3.286(27.11) | 50 | 3.039(29.37) | 30 | Selwynite | NaK(Be,Al)Zr2(PO4)4•2(H2O) |
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