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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 |
| 7.460(11.85) | 100 | 3.070(29.06) | 90 | 2.548(35.19) | 80 | Aldzhanite | CaMgB2O4Cl•7(H2O) (?) |
| 7.490(11.81) | 100 | 3.746(23.73) | 50 | 2.625(34.13) | 40 | Caresite | Fe++4Al2(OH)12CO3•3(H2O) |
| 7.500(11.79) | 100 | 3.630(24.50) | 50 | 2.621(34.18) | 50 | Sclarite | (Zn,Mg,Mn++)4Zn3(CO3)2(OH)10 |
| 7.500(11.79) | 100 | 14.900(5.93) | 60 | 11.100(7.96) | 40 | Metaschoderite | Al2(PO4)(VO4)•6(H2O) |
| 7.500(11.79) | 100 | 2.621(34.18) | 50 | 3.630(24.50) | 50 | Sclarite | (Zn,Mg,Mn++)4Zn3(CO3)2(OH)10 |
| 7.500(11.79) | 100 | 2.481(36.18) | 80 | 3.020(29.55) | 60 | Calumetite | Cu(OH,Cl)2•2(H2O) |
| 7.510(11.77) | 100 | 1.539(60.07) | 75 | 1.542(59.94) | 75 | Zaccagnaite | Zn4Al2(OH)12(CO3)•3(H2O) |
| 7.510(11.77) | 100 | 1.542(59.94) | 75 | 1.539(60.07) | 75 | Zaccagnaite | Zn4Al2(OH)12(CO3)•3(H2O) |
| 7.512(11.77) | 100 | 3.266(27.28) | 91 | 3.528(25.22) | 90 | Fluckite | CaMn(HAsO4)2•2(H2O) |
| 7.530(11.74) | 100 | 3.768(23.59) | 60 | 2.578(34.77) | 50 | Charmarite-2H | Mn++4Al2(CO3)(OH)12•3(H2O) |
| 7.550(11.71) | 100 | 3.770(23.58) | 90 | 2.670(33.54) | 70 | Charmarite-3T | Mn++4Al2(CO3)(OH)12•3(H2O) |
| 7.560(11.70) | 100 | 3.183(28.01) | 35 | 3.780(23.52) | 25 | Billietite | Ba(UO2)6O4(OH)6•8(H2O) |
| 7.560(11.70) | 100 | 3.770(23.58) | 20 | 2.460(36.49) | 12 | Rancieite | (Ca,Mn++)Mn++++4O9•3(H2O) |
| 7.560(11.70) | 100 | 7.130(12.40) | 48 | 3.771(23.57) | 34 | Jachymovite | (UO2)8(SO4)(OH)14•13(H2O) |
| 7.560(11.70) | 100 | 2.990(29.86) | 90 | 4.480(19.80) | 70 | Parahopeite | Zn3(PO4)2•4(H2O) |
| 7.570(11.68) | 100 | 2.552(35.14) | 90 | 1.917(47.38) | 90 | Takovite | Ni6Al2(OH)16(CO3,OH)•4(H2O) |
| 7.570(11.68) | 100 | 2.670(33.54) | 100 | 1.886(48.21) | 100 | Borcarite | Ca4MgB4O6(OH)6(CO3)2 |
| 7.570(11.68) | 100 | 2.671(33.52) | 84 | 2.727(32.81) | 68 | Numanoite | Ca4CuB4O6(OH)6(CO3)2 |
| 7.570(11.68) | 100 | 1.917(47.38) | 90 | 2.552(35.14) | 90 | Takovite | Ni6Al2(OH)16(CO3,OH)•4(H2O) |
| 7.570(11.68) | 100 | 3.778(23.53) | 90 | 2.570(34.88) | 40 | Quintinite-3T | Mg4Al2(OH)12CO3•4(H2O) |
| 7.590(11.65) | 100 | 14.200(6.22) | 100 | 2.950(30.27) | 66 | Rivadavite | Na6MgB24O40•22(H2O) |
| 7.596(11.64) | 100 | 3.320(26.83) | 30 | 3.371(26.42) | 26 | IMA2008-029 | (NH4)3Fe(SO4)3 |
| 7.600(11.63) | 100 | 12.080(7.31) | 90 | 2.680(33.41) | 90 | Admontite | MgB6O10•7(H2O) |
| 7.600(11.63) | 100 | 4.930(17.98) | 100 | 15.220(5.80) | 100 | Uranospathite | Al1-x[ ]x[(UO2)(PO4)]2(H2O)20+3xF1-3x |
| 7.600(11.63) | 100 | 2.680(33.41) | 90 | 12.080(7.31) | 90 | Admontite | MgB6O10•7(H2O) |
| 7.610(11.62) | 100 | 2.745(32.59) | 60 | 3.960(22.43) | 50 | Cianciulliite | Mn++++(Mg,Mn++)2Zn2(OH)10•2-4(H2O) |
| 7.610(11.62) | 100 | 3.807(23.35) | 23 | 2.918(30.61) | 12 | Sophiite | Zn2(SeO3)Cl2 |
| 7.610(11.62) | 100 | 2.130(42.40) | 100 | 2.970(30.06) | 90 | Uralborite | CaB2O2(OH)4 |
| 7.620(11.60) | 100 | 10.590(8.34) | 90 | 9.120(9.69) | 60 | Huemulite | Na4Mg(V10O28)•24(H2O) |
| 7.620(11.60) | 100 | 3.800(23.39) | 30 | 1.900(47.83) | 10 | Brushite | CaHPO4•2(H2O) |
| 7.620(11.60) | 100 | 11.600(7.61) | 100 | 6.820(12.97) | 70 | Zapatalite | Cu3Al4(PO4)3(OH)9•4(H2O) |
| 7.620(11.60) | 100 | 14.620(6.04) | 100 | 3.490(25.50) | 90 | Arsenuranospathite | HAl(UO2)4(AsO4)4•40(H2O) |
| 7.630(11.59) | 100 | 3.785(23.48) | 100 | 1.825(49.93) | 20 | Quintinite-2H | Mg4Al2(OH)12CO3•4(H2O) |
| 7.630(11.59) | 100 | 3.810(23.33) | 80 | 3.240(27.51) | 80 | Ianthinite | (UO2)•5(UO3)•10(H2O) |
| 7.630(11.59) | 100 | 3.818(23.28) | 60 | 3.353(26.56) | 60 | Suzukiite | BaVO(SiO3)2 |
| 7.630(11.59) | 100 | 3.870(22.96) | 100 | 2.900(30.81) | 70 | Bismutoferrite | BiFe+++2(SiO4)2(OH) |
| 7.630(11.59) | 100 | 2.600(34.47) | 81 | 3.800(23.39) | 73 | Reevesite | Ni6Fe+++2(CO3)(OH)16•4(H2O) |
| 7.630(11.59) | 100 | 3.240(27.51) | 80 | 3.810(23.33) | 80 | Ianthinite | (UO2)•5(UO3)•10(H2O) |
| 7.630(11.59) | 100 | 3.353(26.56) | 60 | 3.818(23.28) | 60 | Suzukiite | BaVO(SiO3)2 |
| 7.630(11.59) | 100 | 4.280(20.74) | 100 | 3.070(29.06) | 80 | Gypsum | CaSO4•2(H2O) |
| 7.640(11.57) | 100 | 2.567(34.92) | 70 | 3.808(23.34) | 50 | Comblainite | Ni++6Co+++2(CO3)(OH)16•4(H2O) |
| 7.660(11.54) | 100 | 13.100(6.74) | 90 | 3.830(23.20) | 60 | Bayleyite | Mg2(UO2)(CO3)3•18(H2O) |
| 7.670(11.53) | 100 | 1.839(49.53) | 100 | 2.340(38.44) | 90 | Chlormagaluminite | (Mg,Fe++)4Al2(OH)12(Cl2,CO3)•2(H2O) |
| 7.670(11.53) | 100 | 1.840(49.50) | 60 | 2.600(34.47) | 50 | Manasseite | Mg6Al2(CO3)(OH)16•4(H2O) |
| 7.670(11.53) | 100 | 3.107(28.71) | 77 | 2.874(31.09) | 53 | Larisaite | Na(H3O)(UO2)3(SeO3)2O2•4(H2O) |
| 7.680(11.51) | 100 | 3.950(22.49) | 80 | 4.080(21.76) | 60 | Strelkinite | Na2(UO2)2V2O8•6(H2O) |
| 7.690(11.50) | 100 | 3.880(22.90) | 70 | 2.580(34.74) | 20 | Hydrotalcite | Mg6Al2(CO3)(OH)16•4(H2O) |
| 7.690(11.50) | 100 | 9.210(9.60) | 70 | 5.740(15.42) | 60 | Pringleite | Ca9B26O34(OH)24Cl4•13(H2O) |
| 7.720(11.45) | 100 | 3.850(23.08) | 100 | 8.410(10.51) | 80 | Arsenuranylite | Ca(UO2)4(AsO4)2(OH)4•6(H2O) |
| 7.730(11.44) | 100 | 3.118(28.61) | 90 | 3.370(26.43) | 90 | Hexahydroborite | Ca[B(OH)4]2•2(H2O) |
| 7.730(11.44) | 100 | 3.370(26.43) | 90 | 3.118(28.61) | 90 | Hexahydroborite | Ca[B(OH)4]2•2(H2O) |
| 7.730(11.44) | 100 | 3.837(23.16) | 80 | 3.054(29.22) | 60 | Bergenite | Ca2Ba4[(UO3)2O2(PO4)2]3 (H2O)16 |
| 7.730(11.44) | 100 | 6.160(14.37) | 90 | 3.410(26.11) | 80 | Johannite | Cu(UO2)2(SO4)2(OH)2•8(H2O) |
| 7.736(11.43) | 100 | 7.824(11.30) | 100 | 2.754(32.48) | 60 | Barium-zinc-alumopharmacosiderite | (Ba,K)0.5(Zn,Cu)0.5(Al,Fe)4(AsO4)3•5(H2O) |
| 7.740(11.42) | 100 | 2.579(34.76) | 19 | 3.037(29.39) | 13 | Aristarainite | Na2MgB12O20•8(H2O) |
| 7.740(11.42) | 100 | 3.930(22.61) | 50 | 3.340(26.67) | 45 | Ardealite | Ca2(SO4)(HPO4)•4(H2O) |
| 7.760(11.39) | 100 | 2.332(38.58) | 60 | 3.880(22.90) | 60 | Desautelsite | Mg6Mn+++2(CO3)(OH)16•4(H2O) |
| 7.760(11.39) | 100 | 3.140(28.40) | 80 | 3.430(25.96) | 70 | Francoisite-(Ce) | (Ce,Nd,Ca)[(UO2)3O(OH)(PO4)2]•6(H2O) |
| 7.760(11.39) | 100 | 3.501(25.42) | 65 | 2.591(34.59) | 41 | Kamchatkite | KCu++3OCl(SO4)2 |
| 7.760(11.39) | 100 | 8.410(10.51) | 70 | 3.900(22.78) | 60 | Calcurmolite | Ca(UO2)3(MoO4)3(OH)2•11(H2O) |
| 7.760(11.39) | 100 | 3.880(22.90) | 60 | 2.332(38.58) | 60 | Desautelsite | Mg6Mn+++2(CO3)(OH)16•4(H2O) |
| 7.760(11.39) | 100 | 3.880(22.90) | 40 | 2.640(33.93) | 25 | Droninoite | Ni3Fe+++Cl(OH)8•2H2O |
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