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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 |
| 14.900(5.93) | 200 | 4.332(20.48) | 180 | 4.682(18.94) | 180 | Montetrisaite | Cu6(SO4)(OH)10·H2O |
| 14.920(5.92) | 200 | 6.140(14.41) | 180 | 5.096(17.39) | 160 | Aldzhanite | CaMgB2O4Cl·7(H2O) (?) |
| 14.980(5.89) | 200 | 7.492(11.80) | 100 | 5.250(16.87) | 80 | Caresite | Fe++4Al2(OH)12CO3·3(H2O) |
| 15.000(5.89) | 200 | 29.800(2.96) | 120 | 22.200(3.98) | 80 | Metaschoderite | Al2(PO4)(VO4)·6(H2O) |
| 15.000(5.89) | 200 | 5.242(16.90) | 100 | 7.260(12.18) | 100 | Sclarite | (Zn,Mg,Mn++)4Zn3(CO3)2(OH)10 |
| 15.000(5.89) | 200 | 4.962(17.86) | 160 | 6.040(14.65) | 120 | Calumetite | Cu(OH,Cl)2·2(H2O) |
| 15.020(5.88) | 200 | 3.084(28.93) | 150 | 3.078(28.99) | 150 | Zaccagnaite | Zn4Al2(OH)12(CO3)·3(H2O) |
| 15.024(5.88) | 200 | 6.532(13.54) | 182 | 7.056(12.53) | 180 | Fluckite | CaMn(HAsO4)2·2(H2O) |
| 15.060(5.86) | 200 | 7.536(11.73) | 120 | 5.156(17.18) | 100 | Charmarite-2H | Mn++4Al2(CO3)(OH)12·3(H2O) |
| 15.100(5.85) | 200 | 7.540(11.73) | 180 | 5.340(16.59) | 140 | Charmarite-3T | Mn++4Al2(CO3)(OH)12·3(H2O) |
| 15.120(5.84) | 200 | 14.260(6.19) | 96 | 7.542(11.72) | 68 | Jachymovite | (UO2)8(SO4)(OH)14·13(H2O) |
| 15.120(5.84) | 200 | 6.366(13.90) | 70 | 7.560(11.70) | 50 | Billietite | Ba(UO2)6O4(OH)6·8(H2O) |
| 15.120(5.84) | 200 | 7.540(11.73) | 40 | 4.920(18.01) | 24 | Rancieite | (Ca,Mn++)Mn++++4O9·3(H2O) |
| 15.120(5.84) | 200 | 5.980(14.80) | 180 | 8.960(9.86) | 140 | Parahopeite | Zn3(PO4)2·4(H2O) |
| 15.140(5.83) | 200 | 3.834(23.18) | 180 | 5.104(17.36) | 180 | Takovite | Ni6Al2(OH)16(CO3,OH)·4(H2O) |
| 15.140(5.83) | 200 | 7.556(11.70) | 180 | 5.140(17.24) | 80 | Quintinite-3T | Mg4Al2(OH)12CO3·4(H2O) |
| 15.140(5.83) | 200 | 5.342(16.58) | 168 | 5.454(16.24) | 136 | Numanoite | Ca4CuB4O6(OH)6(CO3)2 |
| 15.180(5.82) | 200 | 28.400(3.11) | 200 | 5.900(15.00) | 132 | Rivadavite | Na6MgB24O40·22(H2O) |
| 15.192(5.81) | 200 | 6.640(13.32) | 60 | 6.742(13.12) | 52 | IMA2008-029 | (NH4)3Fe(SO4)3 |
| 15.200(5.81) | 200 | 5.360(16.53) | 180 | 24.160(3.65) | 180 | Admontite | MgB6O10·7(H2O) |
| 15.220(5.80) | 200 | 7.614(11.61) | 46 | 5.836(15.17) | 24 | Sophiite | Zn2(SeO3)Cl2 |
| 15.220(5.80) | 200 | 5.490(16.13) | 120 | 7.920(11.16) | 100 | Cianciulliite | Mn++++(Mg,Mn++)2Zn2(OH)10·2-4(H2O) |
| 15.240(5.79) | 200 | 23.200(3.81) | 200 | 13.640(6.47) | 140 | Zapatalite | Cu3Al4(PO4)3(OH)9·4(H2O) |
| 15.240(5.79) | 200 | 21.180(4.17) | 180 | 18.240(4.84) | 120 | Huemulite | Na4Mg(V10O28)·24(H2O) |
| 15.240(5.79) | 200 | 7.600(11.63) | 60 | 3.800(23.39) | 20 | Brushite | CaHPO4·2(H2O) |
| 15.240(5.79) | 200 | 29.240(3.02) | 200 | 6.980(12.67) | 180 | Arsenuranospathite | HAl(UO2)4(AsO4)4·40(H2O) |
| 15.260(5.79) | 200 | 5.200(17.04) | 162 | 7.600(11.63) | 146 | Reevesite | Ni6Fe+++2(CO3)(OH)16·4(H2O) |
| 15.260(5.79) | 200 | 6.706(13.19) | 120 | 7.636(11.58) | 120 | Suzukiite | BaVO(SiO3)2 |
| 15.260(5.79) | 200 | 6.480(13.65) | 160 | 7.620(11.60) | 160 | Ianthinite | (UO2)·5(UO3)·10(H2O) |
| 15.260(5.79) | 200 | 8.560(10.33) | 200 | 6.140(14.41) | 160 | Gypsum | CaSO4·2(H2O) |
| 15.280(5.78) | 200 | 5.134(17.26) | 140 | 7.616(11.61) | 100 | Comblainite | Ni++6Co+++2(CO3)(OH)16·4(H2O) |
| 15.320(5.76) | 200 | 26.200(3.37) | 180 | 7.660(11.54) | 120 | Bayleyite | Mg2(UO2)(CO3)3·18(H2O) |
| 15.340(5.76) | 200 | 6.214(14.24) | 154 | 5.748(15.40) | 106 | Larisaite | Na(H3O)(UO2)3(SeO3)2O2·4(H2O) |
| 15.340(5.76) | 200 | 3.680(24.16) | 120 | 5.200(17.04) | 100 | Manasseite | Mg6Al2(CO3)(OH)16·4(H2O) |
| 15.360(5.75) | 200 | 7.900(11.19) | 160 | 8.160(10.83) | 120 | Strelkinite | Na2(UO2)2V2O8·6(H2O) |
| 15.380(5.74) | 200 | 18.420(4.79) | 140 | 11.480(7.69) | 120 | Pringleite | Ca9B26O34(OH)24Cl4·13(H2O) |
| 15.380(5.74) | 200 | 7.760(11.39) | 140 | 5.160(17.17) | 40 | Hydrotalcite | Mg6Al2(CO3)(OH)16·4(H2O) |
| 15.460(5.71) | 200 | 7.674(11.52) | 160 | 6.108(14.49) | 120 | Bergenite | Ca2Ba4[(UO3)2O2(PO4)2]3 (H2O)16 |
| 15.460(5.71) | 200 | 6.236(14.19) | 180 | 6.740(13.12) | 180 | Hexahydroborite | Ca[B(OH)4]2·2(H2O) |
| 15.460(5.71) | 200 | 12.320(7.17) | 180 | 6.820(12.97) | 160 | Johannite | Cu(UO2)2(SO4)2(OH)2·8(H2O) |
| 15.472(5.71) | 200 | 15.648(5.64) | 200 | 5.508(16.08) | 120 | Barium-zinc-alumopharmacosiderite | (Ba,K)0.5(Zn,Cu)0.5(Al,Fe)4(AsO4)3·5(H2O) |
| 15.480(5.70) | 200 | 7.860(11.25) | 100 | 6.680(13.24) | 90 | Ardealite | Ca2(SO4)(HPO4)·4(H2O) |
| 15.480(5.70) | 200 | 5.158(17.18) | 38 | 6.074(14.57) | 26 | Aristarainite | Na2MgB12O20·8(H2O) |
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