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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 |
| 7.805(11.33) | 100 | 3.031(29.44) | 70 | 3.903(22.76) | 30 | Ansermetite | MnV2O6•4(H2O) |
| 7.805(11.33) | 100 | 3.903(22.76) | 70 | 4.500(19.71) | 30 | Ansermetite | MnV2O6•4(H2O) |
| 7.810(11.32) | 100 | 2.490(36.04) | 90 | 3.570(24.92) | 60 | Apophyllite-(KF) | (K,Na)Ca4Si8O20(F,OH)•8(H2O) |
| 7.820(11.31) | 4.560(19.45) | 3.940(22.55) | Kokchetavite | KAlSi3O8 | |||
| 7.824(11.30) | 100 | 7.736(11.43) | 100 | 2.754(32.48) | 60 | Barium-zinc-alumopharmacosiderite | (Ba,K)0.5(Zn,Cu)0.5(Al,Fe)4(AsO4)3•5(H2O) |
| 7.830(11.29) | 100 | 3.070(29.06) | 70 | 3.260(27.33) | 70 | Geminite | Cu++2As+++++2O7•3(H2O) |
| 7.830(11.29) | 100 | 3.900(22.78) | 90 | 3.510(25.35) | 60 | Uranophane-beta | Ca[(UO2)SiO3(OH)]2•(H2O) |
| 7.830(11.29) | 100 | 8.890(9.94) | 100 | 1.481(62.68) | 80 | Ankinovichite | (Ni,Zn)Al4(VO3)2(OH)12(H2O)2.5 |
| 7.830(11.29) | 100 | 3.260(27.33) | 70 | 3.070(29.06) | 70 | Geminite | Cu++2As+++++2O7•3(H2O) |
| 7.840(11.28) | 100 | 6.020(14.70) | 100 | 3.250(27.42) | 80 | Sitinakite | Na2K(Ti,Nb)4O4(SiO4)2(O,OH)•4(H2O) |
| 7.850(11.26) | 100 | 3.201(27.85) | 80 | 2.471(36.33) | 40 | Ivanyukite-K | K2[Ti4(OH)2O2(SiO4)3]•9H2O |
| 7.851(11.26) | 100 | 3.297(27.02) | 90 | 2.685(33.34) | 80 | Munirite | NaVO3•(2-x)(H2O) |
| 7.860(11.25) | 100 | 3.930(22.61) | 60 | 2.890(30.92) | 50 | Hydrocalumite | Ca2Al(OH)6[Cl1-x(OH)x]•3(H2O) |
| 7.860(11.25) | 100 | 2.560(35.02) | 80 | 1.910(47.57) | 70 | Cafetite | Ca(Fe,Al)2Ti4O12•4(H2O) |
| 7.870(11.23) | 100 | 1.843(49.41) | 80 | 1.960(46.28) | 30 | Ivanyukite-Cu | Cu[Ti4(OH)2O2(SiO4)3]•7H2O |
| 7.870(11.23) | 100 | 3.205(27.81) | 80 | 1.843(49.41) | 30 | Ivanyukite-Cu | Cu[Ti4(OH)2O2(SiO4)3]•7H2O |
| 7.870(11.23) | 100 | 2.672(33.51) | 60 | 2.725(32.84) | 50 | Simonkolleite | Zn5(OH)8Cl2•(H2O) |
| 7.880(11.22) | 100 | 15.440(5.72) | 100 | 2.714(32.98) | 40 | Brianyoungite | Zn3(CO3,SO4)(OH)4 |
| 7.880(11.22) | 100 | 3.940(22.55) | 90 | 2.990(29.86) | 80 | Uranophane | Ca(UO2)2SiO3(OH)2•5(H2O) |
| 7.880(11.22) | 100 | 3.200(27.86) | 80 | 2.478(36.22) | 40 | Ivanyukite-Na | Na2[Ti4O2(OH)2(SiO4)3]•6H2O |
| 7.880(11.22) | 100 | 3.175(28.08) | 80 | 2.607(34.37) | 70 | IMA2007-041T | Na2[Ti4O2(OH)2(SiO4)3]•6H2O |
| 7.880(11.22) | 100 | 2.478(36.22) | 80 | 2.622(34.17) | 40 | Ivanyukite-Na | Na2[Ti4O2(OH)2(SiO4)3]•6H2O |
| 7.890(11.21) | 100 | 3.940(22.55) | 50 | 3.150(28.31) | 29 | Yingjiangite | (K2,Ca)(UO2)7(PO4)4(OH)6•6(H2O) |
| 7.896(11.20) | 100 | 3.500(25.43) | 20 | 5.586(15.85) | 15 | Paceite | CaCu(CH3COO)4•6(H2O) |
| 7.900(11.19) | 100 | 3.490(25.50) | 80 | 3.380(26.35) | 70 | Rabejacite | Ca(UO2)4(SO4)2(OH)6•6(H2O) |
| 7.900(11.19) | 100 | 5.010(17.69) | 70 | 5.360(16.53) | 40 | Zugshunstite-(Ce) | (Ce,Nd,La)Al(SO4)2(C2O4)•8(H2O) |
| 7.900(11.19) | 100 | 2.640(33.93) | 32 | 6.200(14.27) | 30 | Para-alumohydrocalcite | CaAl2(CO3)2(OH)4•6(H2O) |
| 7.900(11.19) | 100 | 11.900(7.42) | 80 | 3.380(26.35) | 80 | Kulkeite | Na0.35Mg8AlSi7O20(OH)10 |
| 7.900(11.19) | 100 | 3.120(28.59) | 70 | 3.450(25.80) | 35 | Barnesite | Na2V6O16•3(H2O) |
| 7.900(11.19) | 100 | 3.160(28.22) | 90 | 3.830(23.20) | 70 | Koritnigite | ZnHAsO4•(H2O) |
| 7.900(11.19) | 100 | 3.380(26.35) | 80 | 11.900(7.42) | 80 | Kulkeite | Na0.35Mg8AlSi7O20(OH)10 |
| 7.900(11.19) | 100 | 3.930(22.61) | 70 | 5.010(17.69) | 40 | Zugshunstite-(Ce) | (Ce,Nd,La)Al(SO4)2(C2O4)•8(H2O) |
| 7.910(11.18) | 100 | 3.960(22.43) | 60 | 3.150(28.31) | 60 | Phosphuranylite | KCa(H3O)3(UO2)7(PO4)4O4•8(H2O) |
| 7.910(11.18) | 100 | 3.600(24.71) | 80 | 3.090(28.87) | 60 | Dundasite | PbAl2(CO3)2(OH)4•(H2O) |
| 7.910(11.18) | 100 | 3.150(28.31) | 60 | 3.960(22.43) | 60 | Phosphuranylite | KCa(H3O)3(UO2)7(PO4)4O4•8(H2O) |
| 7.920(11.16) | 100 | 8.690(10.17) | 80 | 10.400(8.50) | 60 | Hohmannite | Fe+++2(SO4)2(OH)2•7(H2O) |
| 7.920(11.16) | 100 | 2.095(43.14) | 80 | 2.755(32.47) | 80 | Stoiberite | Cu5V+++++2O10 |
| 7.920(11.16) | 100 | 2.755(32.47) | 80 | 2.095(43.14) | 80 | Stoiberite | Cu5V+++++2O10 |
| 7.930(11.15) | 100 | 2.990(29.86) | 100 | 2.700(33.15) | 100 | Clinoholmquistite | [ ](Li2Mg3Al2)Si8O22(OH)2 |
| 7.930(11.15) | 100 | 5.670(15.62) | 100 | 13.000(6.79) | 100 | Andersonite | Na2Ca(UO2)(CO3)3•6(H2O) |
| 7.930(11.15) | 100 | 2.700(33.15) | 100 | 2.990(29.86) | 100 | Clinoholmquistite | [ ](Li2Mg3Al2)Si8O22(OH)2 |
| 7.930(11.15) | 100 | 3.960(22.43) | 90 | 2.000(45.30) | 70 | Brugnatellite | Mg6Fe+++(CO3)(OH)13•4(H2O) |
| 7.930(11.15) | 100 | 4.390(20.21) | 80 | 3.002(29.74) | 70 | Strontiodresserite | (Sr,Ca)Al2(CO3)2(OH)4•(H2O) |
| 7.937(11.14) | 100 | 3.633(24.48) | 70 | 4.686(18.92) | 50 | Petterdite | PbCr+++2(CO3)2(OH)4•H2O |
| 7.940(11.13) | 100 | 3.140(28.40) | 70 | 3.820(23.27) | 50 | Cobaltkoritnigite | (Co,Zn)(AsO3OH)•(H2O) |
| 7.950(11.12) | 100 | 13.700(6.45) | 95 | 2.300(39.13) | 95 | Buttgenbachite | Cu19Cl4(NO3)2(OH)32•2(H2O) |
| 7.950(11.12) | 100 | 2.300(39.13) | 95 | 13.700(6.45) | 95 | Buttgenbachite | Cu19Cl4(NO3)2(OH)32•2(H2O) |
| 7.950(11.12) | 100 | 3.110(28.68) | 90 | 2.880(31.03) | 80 | Renardite | Pb(UO2)4(PO4)2(OH)4•7(H2O) |
| 7.950(11.12) | 100 | 3.972(22.36) | 80 | 3.271(27.24) | 40 | Kamitugaite | PbAl(UO2)5(PO4)2(OH)9•9.5(H2O) |
| 7.960(11.11) | 100 | 3.862(23.01) | 100 | 3.273(27.22) | 100 | Krautite | MnAs+++++O3(OH)2•(H2O) |
| 7.960(11.11) | 100 | 2.258(39.89) | 64 | 2.821(31.69) | 59 | Kovdorskite | Mg5(PO4)2(CO3)(OH)2•4.5(H2O) |
| 7.964(11.10) | 100 | 6.854(12.91) | 50 | 6.132(14.43) | 25 | Cavansite | Ca(VO)Si4O10•4(H2O) |
| 7.970(11.09) | 100 | 2.692(33.25) | 34 | 3.970(22.38) | 32 | Fougerite | (Fe++,Mg)6Fe+++2(OH)18•4(H2O) |
| 7.980(11.08) | 100 | 5.320(16.65) | 63 | 3.190(27.95) | 45 | Cattiite | Mg3(PO4)2•22(H2O) |
| 7.980(11.08) | 100 | 11.160(7.92) | 70 | 4.630(19.15) | 50 | Wermlandite | (Ca,Mg)Mg7(Al,Fe+++)2(SO4)2(OH)18•12(H2O) |
| 7.990(11.06) | 100 | 4.230(20.98) | 70 | 5.800(15.26) | 55 | Mellite | Al2[C6(COO)6]•16(H2O) |
| 7.990(11.06) | 100 | 3.270(27.25) | 80 | 2.831(31.58) | 60 | Natropharmacosiderite | (Na,K)2Fe+++4(AsO4)3(OH)5•7(H2O) |
| 8.000(11.05) | 100 | 2.290(39.31) | 100 | 13.700(6.45) | 100 | Connellite | Cu19Cl4(SO4)(OH)32•3(H2O) |
| 8.010(11.04) | 100 | 5.890(15.03) | 100 | 3.140(28.40) | 90 | Dewindtite | Pb3[H(UO2)3O2(PO4)2]2•12(H2O) |
| 8.010(11.04) | 100 | 2.912(30.68) | 80 | 4.010(22.15) | 70 | Haynesite | (UO2)3(SeO3)2(OH)2•5(H2O) |
| 8.010(11.04) | 100 | 3.562(24.98) | 49 | 2.807(31.85) | 48 | Lemoynite | (Na,K)2CaZr2Si10O26•5-6(H2O) |
| 8.010(11.04) | 100 | 4.060(21.87) | 50 | 3.480(25.58) | 40 | Searlesite | NaBSi2O5(OH)2 |
| 8.040(11.00) | 100 | 3.440(25.88) | 100 | 24.100(3.66) | 100 | Bornemanite | BaNa3{(Na,Ti)4[(Ti,Nb)2O2Si4O14](F,OH)2}•PO4 |
| 8.040(11.00) | 100 | 2.007(45.14) | 60 | 4.021(22.09) | 48 | Woodallite | Mg6Cr2(OH)16Cl2•4(H2O) |
| 8.040(11.00) | 100 | 2.439(36.82) | 95 | 3.843(23.13) | 75 | Korshunovskite | Mg2Cl(OH)3•3.5-4(H2O) |
| 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 | 6.230(14.20) | 60 | 3.660(24.30) | 50 | Dresserite | BaAl2(CO3)2(OH)4•(H2O) |
| 8.090(10.93) | 100 | 3.420(26.03) | 90 | 3.180(28.04) | 80 | Joliotite | (UO2)(CO3)•n(H2O), (n=2?) |
| 8.100(10.91) | 100 | 4.040(21.98) | 40 | 3.560(24.99) | 20 | Brianroulstonite | Ca3[B5O6(OH)6](OH)Cl2•8(H2O) |
| 8.100(10.91) | 100 | 3.149(28.32) | 100 | 2.696(33.20) | 80 | Wilkinsonite | Na2Fe++4Fe+++2Si6O20 |
| 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 | 3.140(28.40) | 100 | 2.705(33.09) | 80 | Aenigmatite | (Na,Ca)4(Fe++,Ti,Mg)12Si12O40 |
| 8.110(10.90) | 100 | 3.000(29.76) | 48 | 4.420(20.07) | 26 | Ferroholmquistite | [ ](Li2Fe++3Al2)Si8O22(OH)2 |
| 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 |
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