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X-Ray Diffraction Table |
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X-Ray Diffraction Table |
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 |
| 11.760(7.51) | 200 | 5.888(15.03) | 156 | 6.160(14.37) | 124 | Elsmoreite | WO3·0.5(H2O) |
| 11.760(7.51) | 200 | 6.120(14.46) | 180 | 4.500(19.71) | 120 | Benauite | HSrFe+++3(PO4)2(OH)6 |
| 11.780(7.50) | 200 | 16.020(5.51) | 200 | 6.280(14.09) | 180 | Dewindtite | Pb3[H(UO2)3O2(PO4)2]2·12(H2O) |
| 11.780(7.50) | 200 | 5.880(15.05) | 100 | 5.140(17.24) | 20 | Chloromagnesite | MgCl2 |
| 11.780(7.50) | 200 | 7.320(12.08) | 180 | 5.852(15.13) | 160 | Clinochalcomenite | CuSeO3·2(H2O) |
| 11.794(7.49) | 200 | 25.540(3.46) | 180 | 5.742(15.42) | 160 | Mourite | U++++Mo++++++5O12(OH)10 |
| 11.800(7.49) | 200 | 15.900(5.55) | 162 | 7.882(11.22) | 142 | Deliensite | Fe++(UO2)2(SO4)2(OH)2·3(H2O) |
| 11.820(7.47) | 200 | 19.000(4.65) | 180 | 6.320(14.00) | 140 | Zanazziite | Ca2(Mg,Fe++)(Mg,Fe++,Al,Mn,Fe+++)4Be4(PO4)6(OH)4·6(H2O) |
| 11.831(7.47) | 200 | 15.721(5.62) | 174 | 8.744(10.11) | 172 | Kochsandorite | CaAl2(CO3)2(OH)4·H2O |
| 11.840(7.46) | 200 | 5.568(15.90) | 172 | 6.340(13.96) | 106 | Atencioite | Ca2Fe++[ ]Mg2Fe++2Be4(PO4)6(OH)4·6H2O |
| 11.840(7.46) | 200 | 6.800(13.01) | 160 | 5.920(14.95) | 120 | Studtite | [(UO2)O2(H2O)2](H2O)2 |
| 11.852(7.45) | 200 | 13.546(6.52) | 126 | 10.068(8.78) | 116 | Metarossite | CaV2O6·2(H2O) |
| 11.860(7.45) | 200 | 6.980(12.67) | 180 | 4.720(18.78) | 140 | Cesbronite-x | Cu5(TeO3)2(OH)6·2(H2O) |
| 11.868(7.44) | 200 | 6.980(12.67) | 184 | 9.778(9.04) | 142 | Cesbronite | Cu5(TeO3)2(OH)6·2(H2O) |
| 11.880(7.44) | 200 | 5.940(14.90) | 86 | 10.420(8.48) | 74 | Schertelite | (NH4)2MgH2(PO4)2·4(H2O) |
| 11.886(7.43) | 200 | 9.632(9.17) | 130 | 6.338(13.96) | 88 | Ruifrancoite | Ca2([ ],Mn)2(Fe+++,Mn,Mg)4Be4(PO4)6(OH)4·6H2O |
| 11.900(7.42) | 200 | 6.020(14.70) | 180 | 12.920(6.84) | 160 | Paraumbite | K3Zr2HSi6O18·n(H2O) n=3 to 7 |
| 11.920(7.41) | 200 | 19.160(4.61) | 180 | 6.360(13.91) | 140 | Roscherite | Ca(Mn++,Fe++)5Be4(PO4)6(OH)4·6(H2O) |
| 11.940(7.40) | 200 | 12.220(7.23) | 160 | 6.180(14.32) | 140 | Nabesite | Na2BeSi4O10·4(H2O) |
| 11.940(7.40) | 8.660(10.21) | 8.420(10.50) | Kumdykolite | NaAlSi3O8 | |||
| 11.960(7.39) | 200 | 6.304(14.04) | 180 | 18.960(4.66) | 180 | Guimaraesite | Ca2(Zn,Mg,Fe)5Be4(PO4)6(OH)4·6H2O |
| 11.980(7.37) | 200 | 7.160(12.35) | 180 | 10.942(8.07) | 140 | Melanophlogite | SiO2·n(C,H,O,S) |
| 11.988(7.37) | 200 | 5.890(15.03) | 164 | 15.808(5.59) | 140 | IMA2009-038 | Ca4Al2(PO4)2F8·5H2O |
| 11.996(7.36) | 200 | 19.150(4.61) | 106 | 6.384(13.86) | 88 | Footemineite | Ca2Mn++Mn++2Mn++2Be4(PO4)6(OH)4·6H2O |
| 12.012(7.35) | 200 | 6.006(14.74) | 140 | 6.094(14.52) | 120 | Olmsteadite | KFe++2(Nb,Ta)(PO4)2O2·2(H2O) |
| 12.020(7.35) | 200 | 6.010(14.73) | 160 | 6.108(14.49) | 140 | Johnwalkite | K(Mn++,Fe+++,Fe++)2(Nb,Ta)(PO4)2O2((H2O),OH)2 |
| 12.030(7.34) | 200 | 7.388(11.97) | 134 | 4.280(20.74) | 60 | Mcguinnessite | (Mg,Cu)2(CO3)(OH)2 |
| 12.040(7.34) | 200 | 15.680(5.63) | 200 | 6.500(13.61) | 160 | Sitinakite | Na2K(Ti,Nb)4O4(SiO4)2(O,OH)·4(H2O) |
| 12.046(7.33) | 200 | 6.730(13.14) | 136 | 5.886(15.04) | 110 | Ramanite-(Cs) | Cs[B5O6(OH)4]·2H2O |
| 12.060(7.32) | 200 | 6.660(13.28) | 160 | 13.420(6.58) | 160 | Nielsbohrite | K(UO2)3(AsO4)(OH)4·H2O |
| 12.092(7.30) | 200 | 6.648(13.31) | 118 | 13.830(6.39) | 52 | Vajdakite | [(MoO2)2(H2O)2As2O5]·(H2O) |
| 12.120(7.29) | 200 | 5.960(14.85) | 180 | 7.940(11.13) | 160 | Natrosilite | Na2Si2O5 |
| 12.136(7.28) | 200 | 6.530(13.55) | 180 | 6.046(14.64) | 100 | Gainesite | Na2Zr2Be(PO4)4·1-2(H2O) |
| 12.154(7.27) | 200 | 11.236(7.86) | 180 | 19.070(4.63) | 160 | Nevadaite | (Cu++,[ ],Al,V+++)6[Al8(PO4)8F8] (H2O)23 |
| 12.168(7.26) | 200 | 7.716(11.46) | 180 | 6.942(12.74) | 160 | Frolovite | CaB2(OH)8 |
| 12.202(7.24) | 200 | 11.242(7.86) | 182 | 19.030(4.64) | 134 | Cloncurryite | [Cu0.56(VO)0.44]Al2(PO4)2(F,OH)·2.5H2O) |
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