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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 |
|---|
[ 1 ]
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 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 | 2.770(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 |
| 8.330(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) |
| 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 | 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 | 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 | 2.560(35.02) | 50 | 3.110(28.68) | 30 | Ferrotschermakite | [ ]Ca2(Fe++3AlFe+++)Si6Al2O22(OH) |
| 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 | 11.200(7.89) | 90 | 4.660(19.03) | 90 | Lazarenkoite | CaFe++As+++3O7•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 | 2.996(29.80) | 100 | 5.200(17.04) | 60 | Francevillite | (Ba,Pb)(UO2)2V2O8•5(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 | 2.691(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 | 2.720(32.90) | 100 | 3.090(28.87) | 80 | Riebeckite | [ ]Na2(Fe++3Fe+++2)Si8O22(OH)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 | 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 | 4.190(21.19) | 80 | 3.270(27.25) | 70 | Sklodowskite | (H3O)2Mg(UO2)2(SiO4)2•4(H2O) |
| 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 | 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 | 2.714(32.98) | 75 | 2.565(34.95) | 60 | IMA2007-015 | K(CaNa)(Fe++3Al2)(Si6Al2)O22(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 | 2.345(38.35) | 80 | 3.280(27.16) | 41 | Fluoropargasite | NaCa2(Mg3Fe++Al)5(Si6Al2O22)F2 |
| 8.440(10.47) | 100 | 3.130(28.49) | 80 | 2.345(38.35) | 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 |
| 8.460(10.45) | 100 | 3.470(25.65) | 20 | 4.220(21.03) | 18 | Wyartite | Ca3U++++(UO2)6(CO3)2(OH)18•3-5(H2O) |
| 8.470(10.44) | 100 | 3.255(27.38) | 73 | 4.746(18.68) | 65 | Lanthanite-(Ce) | (Ce,La)2(CO3)3•8(H2O) |
| 8.470(10.44) | 100 | 3.790(23.45) | 30 | 2.990(29.86) | 20 | Koninckite | Fe+++PO4•3(H2O) (?) |
| 8.470(10.44) | 100 | 3.610(24.64) | 85 | 2.110(42.82) | 70 | Meta-autunite | Ca(UO2)2(PO4)2•2-6(H2O) |
| 8.470(10.44) | 100 | 2.990(29.86) | 30 | 3.850(23.08) | 20 | Koninckite | Fe+++PO4•3(H2O) (?) |
| 8.474(10.43) | 100 | 6.005(14.74) | 24 | 3.605(24.68) | 9 | Hydrochlorborite | Ca2B4O4(OH)7Cl•7(H2O) |
| 8.480(10.42) | 100 | 2.714(32.98) | 52 | 3.284(27.13) | 40 | Potassic-magnesiohastingsite | (K,Na)Ca2(Mg,Fe++,Fe+++,Al)5(Si,Al)8O22(OH,Cl)2 |
| 8.480(10.42) | 100 | 4.096(21.68) | 55 | 3.037(29.39) | 55 | Indialite | Mg2Al4Si5O18 |
| 8.480(10.42) | 100 | 3.037(29.39) | 55 | 4.096(21.68) | 55 | Indialite | Mg2Al4Si5O18 |
| 8.490(10.41) | 100 | 6.010(14.73) | 90 | 3.073(29.03) | 70 | Metavanmeersscheite | U++++++(UO2)3(PO4)2(OH)6•2(H2O) |
| 8.500(10.40) | 100 | 3.252(27.40) | 63 | 3.038(29.38) | 58 | Lanthanite-(Nd) | (Nd,La)2(CO3)3•8(H2O) |
| 8.500(10.40) | 100 | 3.150(28.31) | 80 | 2.718(32.93) | 60 | Ferropargasite | NaCa2(Fe++4Al)Si6Al2O22(OH)2 |
| 8.500(10.40) | 100 | 4.250(20.88) | 91 | 4.180(21.24) | 23 | Chalcoalumite | CuAl4(SO4)(OH)12•3(H2O) |
| 8.500(10.40) | 100 | 2.354(38.20) | 40 | 4.248(20.89) | 33 | Zincowoodwardite-3R | [Zn1BxAlx(OH)2][(SO4)x/2•n(H2O)], 0.32 < x < 0.50, n = 0.59 |
| 8.510(10.39) | 100 | 2.620(34.20) | 25 | 3.140(28.40) | 18 | Simplotite | CaV++++4O9•5(H2O) |
| 8.510(10.39) | 100 | 4.220(21.03) | 80 | 3.260(27.33) | 60 | Metatyuyamunite | Ca(UO2)2V2O8•3(H2O) |
| 8.512(10.38) | 100 | 3.153(28.28) | 67 | 2.827(31.62) | 31 | Kozulite | NaNa2Mn++4(Fe+++,Al)Si8O22(OH)2 |
| 8.520(10.37) | 100 | 3.665(24.26) | 90 | 3.547(25.09) | 90 | Karchevskyite | [Mg18Al9(OH)54][Sr2(CO3,PO4)9(H2O,H3O)11] |
| 8.520(10.37) | 100 | 3.159(28.23) | 90 | 2.728(32.80) | 75 | Ferrohornblende | [ ]Ca2[Fe++4(Al,Fe+++)]Si7AlO22(OH)2 |
| 8.520(10.37) | 100 | 3.221(27.67) | 90 | 3.721(23.89) | 60 | Rollandite | Cu3(AsO4)2•4(H2O) |
| 8.520(10.37) | 100 | 3.420(26.03) | 70 | 3.100(28.77) | 60 | Hydrodresserite | BaAl2(CO3)2(OH)4•3(H2O) |
| 8.520(10.37) | 100 | 3.547(25.09) | 90 | 3.665(24.26) | 90 | Karchevskyite | [Mg18Al9(OH)54][Sr2(CO3,PO4)9(H2O,H3O)11] |
| 8.520(10.37) | 100 | 3.570(24.92) | 90 | 2.140(42.19) | 60 | Metanovacekite | Mg(UO2)2(AsO4)2•4-8(H2O) |
| 8.530(10.36) | 100 | 3.160(28.22) | 51 | 2.749(32.54) | 23 | Chloro-potassichastingsite | KCa2(Fe++3MgFe+++)(Si6Al2)S8O22Cl2 |
| 8.530(10.36) | 100 | 3.184(28.00) | 40 | 9.020(9.80) | 28 | Potassicarfvedsonite | KNa2Fe++4Fe+++Si8O22(OH)2 |
| 8.530(10.36) | 100 | 3.160(28.22) | 51 | 2.749(32.54) | 23 | Potassic-chlorohastingsite | (K,Na)Ca2(Fe++,Mg)4Fe+++[Si6Al2O22](Cl,OH)2 |
| 8.543(10.35) | 100 | 1.997(45.38) | 20 | 7.877(11.22) | 20 | Nickelalumite | (Ni,Cu)Al4[(SO4),(NO3)2](OH)12•3(H2O) |
| 8.543(10.35) | 100 | 7.877(11.22) | 20 | 1.997(45.38) | 20 | Nickelalumite | (Ni,Cu)Al4[(SO4),(NO3)2](OH)12•3(H2O) |
| 8.550(10.34) | 100 | 2.804(31.89) | 80 | 4.158(21.35) | 50 | Parascholzite | CaZn2(PO4)2•2(H2O) |
| 8.550(10.34) | 100 | 4.270(20.79) | 40 | 7.870(11.23) | 15 | Mbobomkulite | (Ni,Cu)Al4(NO3,SO4)2(OH)12•3(H2O) |
| 8.550(10.34) | 100 | 2.772(32.27) | 70 | 4.110(21.60) | 60 | Fontanite | Ca[(UO2)3(CO3)2O2]•6(H2O) |
| 8.550(10.34) | 100 | 3.710(23.97) | 100 | 5.410(16.37) | 90 | Metaheinrichite | Ba(UO2)2(AsO4)2•8(H2O) |
| 8.550(10.34) | 100 | 3.560(24.99) | 100 | 5.070(17.48) | 60 | Metakirchheimerite | Co(UO2)2(AsO4)2•8(H2O) |
| 8.550(10.34) | 100 | 2.585(34.67) | 60 | 7.128(12.41) | 40 | Metaswitzerite | Mn3(PO4)2•4(H2O) |
| 8.558(10.33) | 50 | 8.107(10.90) | 25 | 4.044(21.96) | 100 | Knasibfite | K3Na4[SiF6]3[BF4] |
| 8.560(10.33) | 100 | 10.310(8.57) | 33 | 2.849(31.37) | 33 | Bakhchisaraitsevite | Na2Mg5(PO4)4•7(H2O) |
| 8.560(10.33) | 100 | 6.070(14.58) | 80 | 4.250(20.88) | 80 | Arsenovanmeersscheite | U(OH)4[(UO2)3(AsO4)2(OH)2]•4H2O |
| 8.560(10.33) | 100 | 6.070(14.58) | 80 | 12.210(7.23) | 80 | Arsenovanmeersscheite | U(OH)4[(UO2)3(AsO4)2(OH)2]•4H2O |
| 8.560(10.33) | 100 | 6.620(13.36) | 70 | 9.030(9.79) | 60 | Ruitenbergite | Ca9B26O34(OH)24Cl4•13(H2O) |
| 8.560(10.33) | 100 | 4.250(20.88) | 80 | 6.070(14.58) | 80 | Arsenovanmeersscheite | U(OH)4[(UO2)3(AsO4)2(OH)2]•4H2O |
| 8.560(10.33) | 100 | 3.500(25.43) | 80 | 2.230(40.41) | 70 | Lehnerite | Mn[UO2/PO4]2•8(H2O) |
| 8.560(10.33) | 100 | 2.849(31.37) | 33 | 10.310(8.57) | 33 | Bakhchisaraitsevite | Na2Mg5(PO4)4•7(H2O) |
| 8.570(10.31) | 100 | 2.979(29.97) | 91 | 3.718(23.91) | 79 | Yoshiokaite | (Ca8-(x/2)[ ](x/2)Al16-xSixO32) |
| 8.571(10.31) | 100 | 7.270(12.16) | 40 | 8.872(9.96) | 30 | Magnesiopascoite | Ca2Mg[V10O28]•16H2O |
| 8.580(10.30) | 100 | 2.739(32.67) | 70 | 3.180(28.04) | 65 | Ferrorichterite | Na(CaNa)Fe++5[Si8O22](OH)2 |
| 8.580(10.30) | 100 | 2.728(32.80) | 40 | 3.157(28.24) | 35 | Ferro-actinolite | [ ]Ca2Fe++5Si8O22(OH)2 |
| 8.583(10.30) | 100 | 3.386(26.30) | 100 | 3.376(26.38) | 100 | Sekaninaite | (Fe++,Mg)2Al4Si5O18 |
| 8.588(10.29) | 100 | 2.788(32.08) | 90 | 4.230(20.98) | 70 | Scholzite | CaZn2(PO4)2•2(H2O) |
| 8.590(10.29) | 100 | 5.340(16.59) | 80 | 3.590(24.78) | 80 | Machatschkiite | Ca6(AsO4)(AsO3OH)3(PO4,SO4)•15(H2O) |
| 8.590(10.29) | 100 | 3.790(23.45) | 90 | 3.300(27.00) | 80 | Trogerite | H2(UO2)2(AsO4)2•8(H2O) |
| 8.590(10.29) | 100 | 3.590(24.78) | 80 | 5.340(16.59) | 80 | Machatschkiite | Ca6(AsO4)(AsO3OH)3(PO4,SO4)•15(H2O) |
| 8.600(10.28) | 100 | 4.270(20.79) | 100 | 1.998(45.35) | 95 | Kirgyzstanite | ZnAl4(SO4)(OH)12•3(H2O) |
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