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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 |
| 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 | 3.610(24.64) | 85 | 2.110(42.82) | 70 | Meta-autunite | Ca(UO2)2(PO4)2•2-6(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 | 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 | 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 |
| 8.480(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 |
| 8.490(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 | 4.250(20.88) | 91 | 4.180(21.24) | 23 | Chalcoalumite | CuAl4(SO4)(OH)12•3(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 | 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 | 3.570(24.92) | 90 | 2.140(42.19) | 60 | Metanovacekite | Mg(UO2)2(AsO4)2•4-8(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 | 3.221(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 | 3.159(28.23) | 90 | 2.728(32.80) | 75 | Ferrohornblende | [ ]Ca2[Fe++4(Al,Fe+++)]Si7AlO22(OH)2 |
| 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 | 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 | 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 | 2.585(34.67) | 60 | 7.128(12.41) | 40 | Metaswitzerite | Mn3(PO4)2•4(H2O) |
| 8.550(10.34) | 100 | 2.804(31.89) | 80 | 4.158(21.35) | 50 | Parascholzite | CaZn2(PO4)2•2(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 | 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 | 10.310(8.57) | 33 | 2.849(31.37) | 33 | Bakhchisaraitsevite | Na2Mg5(PO4)4•7(H2O) |
| 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 | 2.849(31.37) | 33 | 10.310(8.57) | 33 | Bakhchisaraitsevite | Na2Mg5(PO4)4•7(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) |
| 8.570(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) |
| 8.609(10.27) | 100 | 3.076(29.00) | 66 | 3.246(27.45) | 49 | Chesterite | (Mg,Fe++)17Si20O54(OH)6 |
| 8.616(10.26) | 100 | 2.216(40.68) | 96 | 3.482(25.56) | 76 | Bassetite | Fe++(UO2)2(PO4)2•8(H2O) |
| 8.625(10.25) | 100 | 3.568(24.93) | 50 | 5.044(17.57) | 29 | Metarauchite | Ni(UO2)2(AsO4)2•8H2O |
| 8.630(10.24) | 100 | 2.740(32.65) | 60 | 5.610(15.78) | 50 | Robertsite | Ca6Mn+++9(PO4)9O6(H2O)6•3(H2O) |
| 8.638(10.23) | 100 | 6.617(13.37) | 29 | 2.868(31.16) | 24 | Tuzlaite | NaCaB508(0H)2•3(H2O) |
| 8.640(10.23) | 100 | 4.320(20.54) | 80 | 1.430(65.18) | 80 | Scarbroite | Al5(CO3)(OH)13•5(H2O) |
| 8.640(10.23) | 100 | 1.430(65.18) | 80 | 4.320(20.54) | 80 | Scarbroite | Al5(CO3)(OH)13•5(H2O) |
| 8.640(10.23) | 100 | 2.721(32.89) | 70 | 5.550(15.96) | 60 | Mitridatite | Ca2Fe+++3(PO4)3O2•3(H2O) |
| 8.650(10.22) | 100 | 3.570(24.92) | 100 | 3.310(26.91) | 90 | Metauranopilite | (UO2)6(SO4)(OH)10•5(H2O) |
| 8.650(10.22) | 100 | 3.570(24.92) | 100 | 3.310(26.91) | 90 | Metauranospinite | Ca(UO2)2(AsO4)2•8(H2O) |
| 8.660(10.21) | 100 | 2.833(31.55) | 90 | 2.996(29.80) | 90 | Jaffeite | Ca4(Si3O7)(OH)6 |
| 8.660(10.21) | 100 | 2.996(29.80) | 90 | 2.833(31.55) | 90 | Jaffeite | Ca4(Si3O7)(OH)6 |
| 8.670(10.19) | 100 | 4.760(18.63) | 80 | 4.320(20.54) | 80 | Swamboite | U++++++H6(UO2)6(SiO4)6•30(H2O) |
| 8.670(10.19) | 100 | 4.320(20.54) | 80 | 4.760(18.63) | 80 | Swamboite | U++++++H6(UO2)6(SiO4)6•30(H2O) |
| 8.670(10.19) | 100 | 8.420(10.50) | 100 | 3.220(27.68) | 60 | Wavellite | Al3(PO4)2(OH,F)3•5(H2O) |
| 8.682(10.18) | 100 | 3.093(28.84) | 100 | 2.936(30.42) | 100 | Barringtonite | MgCO3•2(H2O) |
| 8.690(10.17) | 100 | 5.660(15.64) | 60 | 2.884(30.98) | 60 | Pararobertsite | Ca2Mn+++3(PO4)3O2•3(H2O) |
| 8.690(10.17) | 100 | 11.300(7.82) | 100 | 3.570(24.92) | 80 | Amarantite | Fe+++(SO4)(OH)•3(H2O) |
| 8.690(10.17) | 100 | 2.884(30.98) | 60 | 5.660(15.64) | 60 | Pararobertsite | Ca2Mn+++3(PO4)3O2•3(H2O) |
| 8.700(10.16) | 100 | 12.600(7.01) | 100 | 9.650(9.16) | 80 | Voglite | Ca2Cu(UO2)(CO3)4•6(H2O) |
| 8.700(10.16) | 100 | 1.776(51.41) | 100 | 3.070(29.06) | 90 | Vozhminite | (Ni,Co)4(As,Sb)S2 |
| 8.710(10.15) | 100 | 3.680(24.16) | 100 | 3.480(25.58) | 80 | Metatorbernite | Cu(UO2)2(PO4)2•8(H2O) |
| 8.715(10.14) | 100 | 5.772(15.34) | 50 | 4.063(21.86) | 50 | Mcallisterite | Mg2B12O14(OH)12•9(H2O) |
| 8.715(10.14) | 100 | 4.063(21.86) | 50 | 5.772(15.34) | 50 | Mcallisterite | Mg2B12O14(OH)12•9(H2O) |
| 8.720(10.14) | 100 | 2.640(33.93) | 90 | 9.360(9.44) | 70 | Synadelphite | (Mn,Mg,Ca,Pb)9(As+++O3)(As+++++O4)2(OH)9•2(H2O) (?) |
| 8.730(10.12) | 100 | 2.853(31.33) | 90 | 7.200(12.28) | 70 | Oursinite | (Co,Mg)(H3O)2[(UO2)SiO4]2•3(H2O) |
| 8.730(10.12) | 100 | 3.630(24.50) | 90 | 1.840(49.50) | 80 | Natrobetpakdalite | (Na,Ca)3Fe+++2(As2Mo6O28)•15(H2O) |
| 8.740(10.11) | 100 | 3.610(24.64) | 30 | 12.400(7.12) | 18 | Grantsite | Na4CaxV++++2xV+++++12-2xO32•8(H2O) |
| 8.740(10.11) | 100 | 9.000(9.82) | 100 | 4.470(19.85) | 50 | Hydroscarbroite | Al14(CO3)3(OH)36•n(H2O) |
| 8.752(10.10) | 100 | 2.748(32.56) | 70 | 3.531(25.20) | 40 | Quetzalcoatlite | Zn8Cu4(TeO3)3(OH)18 |
| 8.760(10.09) | 100 | 4.390(20.21) | 100 | 1.996(45.40) | 70 | Bazhenovite | CaS5•CaS2O3•6Ca(OH)2•20(H2O) |
| 8.760(10.09) | 100 | 5.500(16.10) | 100 | 7.310(12.10) | 90 | Swartzite | CaMg(UO2)(CO3)3•12(H2O) |
| 8.770(10.08) | 100 | 2.800(31.94) | 50 | 2.920(30.59) | 40 | Dittmarite | (NH4)Mg(PO4)•(H2O) |
| 8.780(10.07) | 100 | 17.500(5.05) | 100 | 3.270(27.25) | 25 | Clairite | (NH4)2Fe+++3(SO4)4(OH)3•3(H2O) |
| 8.790(10.05) | 100 | 6.450(13.72) | 90 | 3.220(27.68) | 80 | Fervanite | Fe+++4(VO4)4•5(H2O) |
| 8.796(10.05) | 100 | 2.934(30.44) | 75 | 2.202(40.95) | 55 | Sailaufite | Ca2Mn3O2(AsO4)2(CO3)•3(H2O) |
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