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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 |
| 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 | 2.778(32.20) | 90 | 4.070(21.82) | 80 | Zemannite | Mg0.5[Zn++Fe+++(TeO3)3]•4.5(H2O) |
| 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) |
| 8.160(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 | 2.409(37.30) | 30 | 3.720(23.90) | 20 | Sabieite | (NH4)Fe+++(SO4)2 |
| 8.190(10.79) | 100 | 3.005(29.71) | 100 | 4.100(21.66) | 80 | Curienite | Pb(UO2)2V2O8•5(H2O) |
| 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 | 7.400(11.95) | 70 | 2.730(32.78) | 60 | Hummerite | KMgV+++++5O14•8(H2O) |
| 8.200(10.78) | 100 | 3.190(27.95) | 45 | 9.200(9.61) | 25 | Gowerite | CaB6O10•5(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 | 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 | 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 | 7.830(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 | 2.759(32.42) | 75 | 5.450(16.25) | 65 | Coquimbite | Fe+++2(SO4)3•9(H2O) |
| 8.260(10.70) | 100 | 2.760(32.41) | 75 | 5.450(16.25) | 65 | Paracoquimbite | 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 | 3.060(29.16) | 70 | 2.756(32.46) | 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 | 2.756(32.46) | 70 | 3.060(29.16) | 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 | 4.171(21.28) | 100 | 2.903(30.77) | 90 | Carletonite | KNa4Ca4Si8O18(CO3)4(OH,F)•(H2O) |
| 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 |
| 8.360(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) |
| 8.380(10.55) | 100 | 2.340(38.44) | 90 | 2.700(33.15) | 80 | Magnesiosadanagaite | NaCa2[Mg3(Al,Fe+++)2]Si5AlO22(OH)2 |
| 8.380(10.55) | 100 | 3.120(28.59) | 100 | 2.710(33.03) | 90 | Tremolite | [ ]Ca2Mg5Si8O22(OH)2 |
| 8.380(10.55) | 100 | 2.560(35.02) | 90 | 2.340(38.44) | 80 | Magnesiosadanagaite | NaCa2[Mg3(Al,Fe+++)2]Si5AlO22(OH)2 |
| 8.380(10.55) | 100 | 3.120(28.59) | 100 | 2.710(33.03) | 90 | Actinolite | Ca2(Mg,Fe++)5Si8O22(OH)2 |
| 8.390(10.54) | 100 | 5.960(14.85) | 80 | 4.180(21.24) | 70 | Vanmeersscheite | U++++++(UO2)3(PO4)2(OH)6•4(H2O) |
| 8.390(10.54) | 100 | 7.290(12.13) | 100 | 3.550(25.06) | 80 | Guilleminite | Ba(UO2)3(SeO3)2O2•3(H2O) |
| 8.400(10.52) | 100 | 2.902(30.79) | 90 | 2.691(33.27) | 90 | Tumchaite | Na2(Zr,Sn)Si4O11•2(H2O) |
| 8.400(10.52) | 100 | 4.180(21.24) | 80 | 3.430(25.96) | 80 | Upalite | Al(UO2)3(PO4)2O(OH)•7(H2O) |
| 8.400(10.52) | 100 | 2.902(30.79) | 90 | 3.401(26.18) | 90 | Tumchaite | Na2(Zr,Sn)Si4O11•2(H2O) |
| 8.400(10.52) | 100 | 2.560(35.02) | 50 | 3.110(28.68) | 30 | Ferrotschermakite | [ ]Ca2(Fe++3AlFe+++)Si6Al2O22(OH) |
| 8.400(10.52) | 100 | 11.200(7.89) | 90 | 4.660(19.03) | 90 | Lazarenkoite | CaFe++As+++3O7•3(H2O) |
| 8.400(10.52) | 100 | 2.996(29.80) | 100 | 5.200(17.04) | 60 | Francevillite | (Ba,Pb)(UO2)2V2O8•5(H2O) |
| 8.400(10.52) | 100 | 2.691(33.27) | 90 | 2.902(30.79) | 90 | Tumchaite | Na2(Zr,Sn)Si4O11•2(H2O) |
| 8.400(10.52) | 100 | 2.720(32.90) | 50 | 2.560(35.02) | 30 | Ferrotschermakite | [ ]Ca2(Fe++3AlFe+++)Si6Al2O22(OH) |
| 8.400(10.52) | 100 | 3.430(25.96) | 80 | 4.180(21.24) | 80 | Upalite | Al(UO2)3(PO4)2O(OH)•7(H2O) |
| 8.400(10.52) | 100 | 4.660(19.03) | 90 | 11.200(7.89) | 90 | Lazarenkoite | CaFe++As+++3O7•3(H2O) |
| 8.414(10.51) | 100 | 2.705(33.09) | 70 | 3.390(26.27) | 60 | Obertiite | NaNa2(Mg3Fe+++Ti)Si8O22(O,F,OH)2 |
| 8.420(10.50) | 100 | 2.714(32.98) | 75 | 2.565(34.95) | 60 | IMA2007-015 | K(CaNa)(Fe++3Al2)(Si6Al2)O22(OH)2 |
| 8.420(10.50) | 100 | 3.116(28.62) | 60 | 2.711(33.01) | 20 | Ferriwinchite | ([ ],Na)(Na,Ca)2(Mg, Fe++)4Fe+++[Si8O22](OH)2 |
| 8.420(10.50) | 100 | 3.630(24.50) | 90 | 3.270(27.25) | 80 | Natrouranospinite | (Na2,Ca)(UO2)2(AsO4)2•5(H2O) |
| 8.420(10.50) | 100 | 4.190(21.19) | 80 | 3.270(27.25) | 70 | Sklodowskite | (H3O)2Mg(UO2)2(SiO4)2•4(H2O) |
| 8.420(10.50) | 100 | 4.210(21.08) | 64 | 4.320(20.54) | 21 | Guanacoite | (Cu,Mg)2Mg2(Mg,Cu)(OH)4(H2O)4(AsO4)2 |
| 8.420(10.50) | 100 | 8.670(10.19) | 100 | 3.220(27.68) | 60 | Wavellite | Al3(PO4)2(OH,F)3•5(H2O) |
| 8.420(10.50) | 100 | 2.720(32.90) | 100 | 3.090(28.87) | 80 | Riebeckite | [ ]Na2(Fe++3Fe+++2)Si8O22(OH)2 |
| 8.430(10.49) | 100 | 3.130(28.49) | 70 | 2.710(33.03) | 60 | Hastingsite | NaCa2(Fe++4Fe+++)Si6Al2O22(OH)2 |
| 8.432(10.48) | 100 | 3.162(28.20) | 66 | 2.385(37.69) | 27 | Brumadoite | Cu3(TeO4)(OH)4•5H2O |
| 8.440(10.47) | 100 | 2.816(31.75) | 47 | 2.544(35.25) | 45 | Euchlorine | KNaCu++3(SO4)3O |
| 8.440(10.47) | 100 | 3.130(28.49) | 80 | 2.345(38.35) | 41 | Fluoropargasite | NaCa2(Mg3Fe++Al)5(Si6Al2O22)F2 |
| 8.440(10.47) | 100 | 2.345(38.35) | 80 | 3.280(27.16) | 41 | Fluoropargasite | NaCa2(Mg3Fe++Al)5(Si6Al2O22)F2 |
| 8.450(10.46) | 100 | 3.120(28.59) | 90 | 2.890(30.92) | 60 | Magnesioriebeckite | [ ]Na2[(Mg,Fe++)3Fe+++2]Si8O22(OH)2 |
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