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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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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 8.050(10.98) | 100 | 3.090(28.87) | 80 | 3.100(28.77) | 80 | Phurcalite | Ca2(UO2)3O2(PO4)2•7(H2O) |
| 8.050(10.98) | 100 | 3.100(28.77) | 80 | 3.090(28.87) | 80 | Phurcalite | Ca2(UO2)3O2(PO4)2•7(H2O) |
| 8.060(10.97) | 100 | 4.020(22.09) | 80 | 3.488(25.52) | 70 | Urancalcarite | Ca(UO2)3(CO3)(OH)6•3(H2O) |
| 8.062(10.97) | 100 | 3.200(27.86) | 44 | 2.394(37.54) | 41 | Effenbergerite | BaCuSi4O10 |
| 8.070(10.95) | 100 | 4.210(21.08) | 100 | 2.680(33.41) | 90 | Zunyite | Al13Si5O20(OH,F)18Cl |
| 8.090(10.93) | 100 | 3.420(26.03) | 90 | 3.180(28.04) | 80 | Joliotite | (UO2)(CO3)•n(H2O), (n=2?) |
| 8.090(10.93) | 100 | 6.230(14.20) | 60 | 3.660(24.30) | 50 | Dresserite | BaAl2(CO3)2(OH)4•(H2O) |
| 8.100(10.91) | 100 | 3.149(28.32) | 100 | 2.696(33.20) | 80 | Wilkinsonite | Na2Fe++4Fe+++2Si6O20 |
| 8.100(10.91) | 100 | 4.040(21.98) | 40 | 3.560(24.99) | 20 | Brianroulstonite | Ca3[B5O6(OH)6](OH)Cl2•8(H2O) |
| 8.107(10.90) | 100 | 3.000(29.76) | 90 | 4.427(20.04) | 70 | Holmquistite | [ ](Li2Mg3Al2)Si8O22(OH)2 |
| 8.109(10.90) | 100 | 4.047(21.94) | 40 | 2.363(38.05) | 27 | Iowaite | Mg4Fe+++(OH)8OCl•2-4(H2O) |
| 8.110(10.90) | 100 | 3.000(29.76) | 48 | 4.420(20.07) | 26 | Ferroholmquistite | [ ](Li2Fe++3Al2)Si8O22(OH)2 |
| 8.110(10.90) | 100 | 3.140(28.40) | 100 | 2.705(33.09) | 80 | Aenigmatite | (Na,Ca)4(Fe++,Ti,Mg)12Si12O40 |
| 8.120(10.89) | 100 | 2.863(31.22) | 48 | 3.543(25.11) | 39 | Bussyite-(Ce) | (Ce,REE)3(Na,H2O)6MnSi9Be5(O,OH)30F4 |
| 8.135(10.87) | 100 | 5.975(14.81) | 40 | 3.564(24.96) | 40 | Natrolemoynite | Na4Zr2Si10O26•9(H2O) |
| 8.135(10.87) | 100 | 3.564(24.96) | 40 | 5.975(14.81) | 40 | Natrolemoynite | Na4Zr2Si10O26•9(H2O) |
| 8.146(10.85) | 100 | 2.686(33.33) | 90 | 3.008(29.67) | 80 | IMA2008-070 | NaLi2(Fe2Al2Li)(Si6Al2)O22F2 |
| 8.150(10.85) | 100 | 3.000(29.76) | 80 | 4.040(21.98) | 70 | Lepersonnite-(Gd) | CaGd2(UO3)24(CO3)8(SiO4)4O4•60(H2O) |
| 8.150(10.85) | 100 | 2.778(32.20) | 90 | 4.070(21.82) | 80 | Zemannite | Mg0.5[Zn++Fe+++(TeO3)3]•4.5(H2O) |
| 8.160(10.83) | 100 | 4.820(18.39) | 90 | 6.060(14.61) | 70 | Cuprosklodowskite | Cu[(UO2)(SiO2OH)]2•6(H2O) |
| 8.190(10.79) | 100 | 3.005(29.71) | 100 | 4.100(21.66) | 80 | Curienite | Pb(UO2)2V2O8•5(H2O) |
| 8.190(10.79) | 100 | 2.409(37.30) | 30 | 3.720(23.90) | 20 | Sabieite | (NH4)Fe+++(SO4)2 |
| 8.199(10.78) | 100 | 5.502(16.10) | 100 | 2.883(30.99) | 80 | Bobkingite | Cu5Cl2(OH)8(H2O)2 |
| 8.200(10.78) | 100 | 3.190(27.95) | 45 | 9.200(9.61) | 25 | Gowerite | CaB6O10•5(H2O) |
| 8.200(10.78) | 100 | 7.400(11.95) | 70 | 2.730(32.78) | 60 | Hummerite | KMgV+++++5O14•8(H2O) |
| 8.210(10.77) | 100 | 3.080(28.97) | 90 | 4.200(21.14) | 20 | Mpororoite | Al(WO3)(OH)3•2(H2O) |
| 8.210(10.77) | 100 | 4.200(21.14) | 90 | 5.690(15.56) | 20 | Mpororoite | Al(WO3)(OH)3•2(H2O) |
| 8.224(10.75) | 100 | 2.717(32.94) | 69 | 3.042(29.34) | 54 | Ferri-clinoferroholmquistite | [ ]Li2(Fe+++2Fe++3)Si8O22(OH)2 |
| 8.230(10.74) | 100 | 3.090(28.87) | 100 | 3.220(27.68) | 80 | Marthozite | Cu[(UO2)3(SeO3)2O2]•8(H2O) |
| 8.230(10.74) | 100 | 3.040(29.36) | 70 | 3.220(27.68) | 20 | Ferrogedrite | [ ]Fe++5Al2Si6Al2O22(OH)2 |
| 8.240(10.73) | 100 | 4.370(20.30) | 80 | 7.790(11.35) | 80 | Rabbittite | Ca3Mg3(UO2)2(CO3)6(OH)4•18(H2O) |
| 8.240(10.73) | 100 | 7.790(11.35) | 80 | 4.370(20.30) | 80 | Rabbittite | Ca3Mg3(UO2)2(CO3)6(OH)4•18(H2O) |
| 8.240(10.73) | 100 | 7.830(11.29) | 94 | 4.662(19.02) | 61 | Mapimite | Zn2Fe+++3(AsO4)3(OH)4•10(H2O) |
| 8.241(10.73) | 100 | 2.714(32.98) | 72 | 3.050(29.26) | 60 | Sodic-ferri-ferropedrizite | NaLi2(Fe+++2Fe++3)Si8O22(OH)2 |
| 8.256(10.71) | 100 | 2.709(33.04) | 81 | 2.501(35.88) | 68 | Ferri-ottoliniite | [ ](Na,Li)(Mg3Fe+++2)Si8O22(OH)2 |
| 8.260(10.70) | 100 | 2.760(32.41) | 75 | 5.450(16.25) | 65 | Paracoquimbite | Fe+++2(SO4)3•9(H2O) |
| 8.260(10.70) | 100 | 2.759(32.42) | 75 | 5.450(16.25) | 65 | Coquimbite | Fe+++2(SO4)3•9(H2O) |
| 8.270(10.69) | 100 | 3.240(27.51) | 100 | 2.430(36.96) | 100 | Calclacite | Ca[Cl2/CH3COO]•10(H2O) |
| 8.283(10.67) | 100 | 8.985(9.84) | 35 | 4.878(18.17) | 29 | IMA2008-047 | Cd3Zn2(AsO3OH)2(AsO4)24?H2O |
| 8.283(10.67) | 100 | 4.878(18.17) | 35 | 6.169(14.35) | 29 | IMA2008-047 | Cd3Zn2(AsO3OH)2(AsO4)24?H2O |
| 8.290(10.66) | 100 | 3.339(26.68) | 90 | 2.884(30.98) | 80 | Penkvilksite | Na4(Ti++++,Zr)2[Si8O22]•4(H2O) |
| 8.310(10.64) | 100 | 6.470(13.68) | 100 | 4.970(17.83) | 25 | Meyerhofferite | Ca2B6O6(OH)10•2(H2O) |
| 8.310(10.64) | 100 | 3.080(28.97) | 70 | 2.710(33.03) | 40 | Crossite | Na2(Mg,Fe++)3(Al,Fe+++)2Si8O22(OH)2 |
| 8.326(10.62) | 100 | 2.784(32.12) | 80 | 2.979(29.97) | 80 | Artsmithite | Hg+4Al(PO4)1.74(OH)1.78 |
| 8.326(10.62) | 100 | 2.979(29.97) | 80 | 2.784(32.12) | 80 | Artsmithite | Hg+4Al(PO4)1.74(OH)1.78 |
| 8.330(10.61) | 100 | 2.756(32.46) | 70 | 3.060(29.16) | 70 | Cummingtonite | [ ]Mg7Si8O22(OH)2 |
| 8.330(10.61) | 100 | 2.770(32.29) | 90 | 3.070(29.06) | 80 | Grunerite | [ ]Fe++7Si8O22(OH)2 |
| 8.330(10.61) | 100 | 3.060(29.16) | 70 | 2.756(32.46) | 70 | Cummingtonite | [ ]Mg7Si8O22(OH)2 |
| 8.350(10.59) | 100 | 3.151(28.30) | 76 | 2.830(31.59) | 53 | Fluoro-potassichastingsite | KCa2(Fe++2,Mg2,Fe+++)S5(Si6Al2)8O22F2 |
| 8.350(10.59) | 100 | 9.910(8.92) | 60 | 7.720(11.45) | 50 | Kaatialaite | Fe+++[H2As+++++O4]3•5-5.5(H2O) |
| 8.352(10.58) | 100 | 2.703(33.11) | 92 | 3.098(28.79) | 68 | Aluminotaramite | Na(CaNa)(Fe+++3Al2)(Si6Al2)O22(OH)2 |
| 8.353(10.58) | 100 | 2.560(35.02) | 92 | 3.074(29.02) | 64 | Protoferro-anthophyllite | (Fe++,Mn++)2(Fe++,Mg)5(Si4O11)2(OH)2 |
| 8.353(10.58) | 100 | 4.171(21.28) | 100 | 2.903(30.77) | 90 | Carletonite | KNa4Ca4Si8O18(CO3)4(OH,F)•(H2O) |
| 8.360(10.57) | 100 | 3.090(28.87) | 90 | 2.760(32.41) | 40 | Manganogrunerite | [ ]Mn2Fe++5Si8O22(OH) |
| 8.360(10.57) | 100 | 2.760(32.41) | 90 | 3.280(27.16) | 40 | Manganogrunerite | [ ]Mn2Fe++5Si8O22(OH) |
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