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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 |
| 4.440(19.98) | 100 | 2.407(37.33) | 30 | 1.858(48.99) | 25 | Grimaldiite | Cr+++O(OH) |
| 4.440(19.98) | 100 | 5.260(16.84) | 90 | 2.970(30.06) | 80 | Vandenbrandeite | Cu(UO2)(OH)4 |
| 4.442(19.97) | 100 | 1.939(46.81) | 95 | 3.627(24.52) | 50 | Metaborite | HBO2 |
| 4.450(19.94) | 100 | 2.550(35.16) | 70 | 1.492(62.17) | 40 | Rectorite | (Na,Ca)Al4(Si,Al)8O20(OH)4•2(H2O) |
| 4.450(19.94) | 100 | 1.492(62.17) | 70 | 12.200(7.24) | 40 | Rectorite | (Na,Ca)Al4(Si,Al)8O20(OH)4•2(H2O) |
| 4.460(19.89) | 100 | 2.462(36.46) | 50 | 2.353(38.22) | 50 | Ludjibaite | Cu5(PO4)2(OH)4 |
| 4.460(19.89) | 100 | 13.370(6.61) | 76 | 3.340(26.67) | 71 | Revdite | Na2Si2O5•5(H2O) |
| 4.460(19.89) | 100 | 8.910(9.92) | 90 | 7.850(11.26) | 80 | Alvanite | (Zn,Ni)Al4(VO3)2(OH)12•2(H2O) |
| 4.460(19.89) | 100 | 5.440(16.28) | 90 | 3.950(22.49) | 80 | Aplowite | (Co,Mn,Ni)SO4•4(H2O) |
| 4.460(19.89) | 100 | 2.973(30.03) | 80 | 2.686(33.33) | 45 | Ottrelite | (Mn,Fe++,Mg)2Al4Si2O10(OH)4 |
| 4.460(19.89) | 100 | 2.353(38.22) | 50 | 2.462(36.46) | 50 | Ludjibaite | Cu5(PO4)2(OH)4 |
| 4.470(19.85) | 100 | 2.410(37.28) | 100 | 3.132(28.47) | 30 | Reichenbachite | Cu++5(PO4)2(OH)4 |
| 4.470(19.85) | 100 | 4.260(20.83) | 100 | 4.120(21.55) | 80 | Chaoite | C |
| 4.470(19.85) | 100 | 3.210(27.77) | 100 | 5.150(17.20) | 80 | Schubnelite | Fe++(V+++++O4)(H2O) |
| 4.470(19.85) | 100 | 5.460(16.22) | 100 | 6.850(12.91) | 80 | Boyleite | (Zn,Mg)SO4•4(H2O) |
| 4.470(19.85) | 100 | 5.460(16.22) | 90 | 3.970(22.38) | 70 | Rozenite | Fe++SO4•4(H2O) |
| 4.470(19.85) | 100 | 2.460(36.49) | 90 | 2.970(30.06) | 80 | Magnesiochloritoid | MgAl2SiO5(OH)2 |
| 4.470(19.85) | 100 | 2.460(36.49) | 90 | 2.970(30.06) | 80 | Chloritoid | (Fe++,Mg,Mn)2Al4Si2O10(OH)4 |
| 4.480(19.80) | 100 | 2.950(30.27) | 100 | 5.500(16.10) | 60 | Starkeyite | MgSO4•4(H2O) |
| 4.480(19.80) | 100 | 5.560(15.93) | 65 | 3.960(22.43) | 65 | Ilesite | (Mn,Zn,Fe++)SO4•4(H2O) |
| 4.480(19.80) | 90 | 1.527(60.59) | 70 | 2.510(35.74) | 60 | Sobotkite | (K,Ca0.5)0.33(Mg,Al)3(Si3Al)O10(OH)2•1-5(H2O) |
| 4.480(19.80) | 90 | 14.500(6.09) | 70 | 1.527(60.59) | 60 | Sobotkite | (K,Ca0.5)0.33(Mg,Al)3(Si3Al)O10(OH)2•1-5(H2O) |
| 4.480(19.80) | 100 | 3.960(22.43) | 65 | 5.560(15.93) | 65 | Ilesite | (Mn,Zn,Fe++)SO4•4(H2O) |
| 4.480(19.80) | 100 | 8.350(10.59) | 79 | 4.360(20.35) | 67 | Meta-aluminite | Al2(SO4)(OH)4•5(H2O) |
| 4.490(19.76) | 100 | 4.390(20.21) | 80 | 4.330(20.49) | 80 | Alunogen | Al2(SO4)3•17(H2O) |
| 4.490(19.76) | 100 | 4.330(20.49) | 80 | 4.390(20.21) | 80 | Alunogen | Al2(SO4)3•17(H2O) |
| 4.490(19.76) | 100 | 2.386(37.67) | 70 | 2.443(36.76) | 60 | Pseudomalachite | Cu5(PO4)2(OH)4 |
| 4.495(19.73) | 100 | 3.333(26.72) | 100 | 10.200(8.66) | 100 | Ashburtonite | HPb4Cu++4Si4O12(HCO3)4(OH)4Cl |
| 4.497(19.73) | 100 | 3.910(22.72) | 48 | 7.820(11.31) | 40 | Sharpite | Ca(UO2)6(CO3)5(OH)4•6(H2O) |
| 4.500(19.71) | 100 | 3.970(22.38) | 80 | 5.610(15.78) | 70 | Magnesioaubertite | (Mg,Cu)Al(SO4)2Cl•14(H2O) |
| 4.500(19.71) | 100 | 4.247(20.90) | 69 | 3.952(22.48) | 58 | Aubertite | CuAl(SO4)2Cl•14(H2O) |
| 4.500(19.71) | 100 | 5.650(15.67) | 80 | 3.200(27.86) | 80 | Scorodite | Fe+++AsO4•2(H2O) |
| 4.500(19.71) | 100 | 13.900(6.35) | 100 | 7.300(12.11) | 100 | Yakhontovite | (Ca,K)0.5(Cu,Fe+++,Mg)2Si4O10(OH)2•3(H2O) |
| 4.500(19.71) | 100 | 7.300(12.11) | 100 | 13.900(6.35) | 100 | Yakhontovite | (Ca,K)0.5(Cu,Fe+++,Mg)2Si4O10(OH)2•3(H2O) |
| 4.500(19.71) | 100 | 3.200(27.86) | 80 | 5.650(15.67) | 80 | Scorodite | Fe+++AsO4•2(H2O) |
| 4.520(19.62) | 100 | 9.040(9.78) | 60 | 2.770(32.29) | 35 | Synchysite-(Nd) | CaNd(CO3)2F |
| 4.520(19.62) | 100 | 2.211(40.78) | 100 | 1.910(47.57) | 100 | Hongshiite | PtCu |
| 4.520(19.62) | 100 | 2.610(34.33) | 100 | 2.550(35.16) | 100 | Beidellite | Na0.5Al2(Si3.5Al0.5)O10(OH)2•n(H2O) |
| 4.528(19.59) | 100 | 2.728(32.80) | 90 | 2.480(36.19) | 90 | Carboirite-III | Fe++Al2GeO5(OH)2 |
| 4.528(19.59) | 100 | 2.728(32.80) | 90 | 2.480(36.19) | 90 | Carboirite-VIII | Fe++(Al,Ge)2 O[(Ge,Si)O4](OH)2 |
| 4.528(19.59) | 100 | 2.480(36.19) | 90 | 2.728(32.80) | 90 | Carboirite-VIII | Fe++(Al,Ge)2 O[(Ge,Si)O4](OH)2 |
| 4.528(19.59) | 100 | 2.480(36.19) | 90 | 2.728(32.80) | 90 | Carboirite-III | Fe++Al2GeO5(OH)2 |
| 4.530(19.58) | 100 | 7.190(12.30) | 50 | 5.590(15.84) | 50 | Goosecreekite | CaAl2Si6O16•5(H2O) |
| 4.530(19.58) | 100 | 15.000(5.89) | 70 | 4.970(17.83) | 45 | Tosudite | Na0,5(Al,Mg)6(Si,Al)8O18(OH)12•5(H2O) |
| 4.530(19.58) | 100 | 5.700(15.53) | 70 | 3.874(22.94) | 60 | Yanomamite | In(AsO4)•2(H2O) |
| 4.530(19.58) | 100 | 5.590(15.84) | 50 | 7.190(12.30) | 50 | Goosecreekite | CaAl2Si6O16•5(H2O) |
| 4.530(19.58) | 100 | 3.240(27.51) | 90 | 2.612(34.30) | 80 | Ferrisurite | (Pb,Cu)2-3(CO3)1.5-2(OH,F)0.5-1[(Fe,Al)2Si4O10(OH)2]•n(H2O) |
| 4.540(19.54) | 100 | 4.017(22.11) | 45 | 3.960(22.43) | 45 | Konyaite | Na2Mg(SO4)2•5(H2O) |
| 4.540(19.54) | 100 | 9.600(9.20) | 80 | 1.518(60.99) | 80 | Ferripyrophyllite | Fe+++2Si4O10(OH)2 |
| 4.540(19.54) | 100 | 1.518(60.99) | 80 | 9.600(9.20) | 80 | Ferripyrophyllite | Fe+++2Si4O10(OH)2 |
| 4.540(19.54) | 100 | 3.960(22.43) | 45 | 4.017(22.11) | 45 | Konyaite | Na2Mg(SO4)2•5(H2O) |
| 4.550(19.49) | 100 | 2.280(39.49) | 80 | 3.150(28.31) | 80 | Gearksutite | CaAl(OH,F)5•(H2O) |
| 4.550(19.49) | 100 | 3.150(28.31) | 80 | 2.280(39.49) | 80 | Gearksutite | CaAl(OH,F)5•(H2O) |
| 4.560(19.45) | 100 | 1.520(60.90) | 100 | 15.400(5.73) | 100 | Nontronite | Na0.3Fe+++2(Si,Al)4O10(OH)2•n(H2O) |
| 4.570(19.41) | 100 | 4.510(19.67) | 90 | 3.720(23.90) | 60 | Arhbarite | Cu2Mg(AsO4)(OH)3 |
| 4.570(19.41) | 100 | 3.360(26.51) | 90 | 6.280(14.09) | 90 | Soddyite | (UO2)2SiO4•2(H2O) |
| 4.570(19.41) | 100 | 6.280(14.09) | 90 | 3.360(26.51) | 90 | Soddyite | (UO2)2SiO4•2(H2O) |
| 4.580(19.36) | 100 | 3.890(22.84) | 90 | 7.530(11.74) | 90 | Tengerite-(Y) | Y2(CO3)3•2-3(H2O) |
| 4.580(19.36) | 100 | 3.985(22.29) | 80 | 1.205(79.47) | 70 | Mopungite | NaSb(OH)6 |
| 4.580(19.36) | 100 | 7.530(11.74) | 90 | 3.890(22.84) | 90 | Tengerite-(Y) | Y2(CO3)3•2-3(H2O) |
| 4.580(19.36) | 100 | 1.530(60.46) | 100 | 15.800(5.59) | 80 | Hectorite | Na0,3(Mg,Li)3Si4O10(OH)2 |
| 4.580(19.36) | 100 | 3.380(26.35) | 70 | 2.880(31.03) | 50 | Gortdrumite | (Cu,Fe)6Hg2S5 |
| 4.590(19.32) | 100 | 3.722(23.89) | 90 | 2.528(35.48) | 80 | Lenoblite | V2O4•2(H2O) |
| 4.600(19.28) | 100 | 1.870(48.65) | 80 | 1.747(52.32) | 30 | Holfertite | U++++++1.75TiCa0.25 O7.5(H2O)3 |
| 4.600(19.28) | 100 | 2.900(30.81) | 80 | 1.870(48.65) | 30 | Holfertite | U++++++1.75TiCa0.25 O7.5(H2O)3 |
| 4.600(19.28) | 100 | 3.210(27.77) | 90 | 4.290(20.69) | 80 | Rutherfordine | UO2(CO3) |
| 4.600(19.28) | 100 | 3.300(27.00) | 77 | 3.200(27.86) | 76 | Sborgite | NaB5O6(OH)4•3(H2O) |
| 4.610(19.24) | 100 | 8.000(11.05) | 90 | 2.408(37.31) | 80 | Pharmacosiderite | KFe+++4(AsO4)3(OH)4•6-7(H2O) |
| 4.613(19.22) | 100 | 3.390(26.27) | 60 | 4.580(19.36) | 50 | Gilmarite | Cu3(AsO4)(OH)3 |
| 4.620(19.20) | 100 | 1.306(72.29) | 100 | 16.000(5.52) | 100 | Perlialite | K8Tl4Al12Si24O72•20(H2O) |
| 4.620(19.20) | 5.770(15.34) | 5.820(15.21) | Rubicline | (Rb,K)AlSi3O8 | |||
| 4.620(19.20) | 100 | 2.640(33.93) | 50 | 2.360(38.10) | 20 | Feitknechtite | beta-Mn+++O(OH) |
| 4.620(19.20) | 100 | 3.830(23.20) | 90 | 3.260(27.33) | 85 | Ohmilite | Sr3(Ti,Fe+++)(Si2O6)2(O,OH)•2-3(H2O) |
| 4.620(19.20) | 100 | 3.360(26.51) | 100 | 2.340(38.44) | 80 | Bottinoite | NiSb+++++2(OH)12•6(H2O) |
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