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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 |
| 4.794(18.49) | 100 | 2.633(34.02) | 47 | 5.868(15.09) | 39 | Zincolibethenite | CuZn(PO4)OH |
| 4.794(18.49) | 100 | 2.360(38.10) | 40 | 1.972(45.98) | 30 | Doyleite | Al(OH)3 |
| 4.797(18.48) | 100 | 3.281(27.16) | 73 | 2.662(33.64) | 58 | IMA2008-065 | (Na,K)6Ca2(Si6Al6O24)Cl2(CO3) |
| 4.800(18.47) | 100 | 4.050(21.93) | 50 | 3.020(29.55) | 25 | Haggite | V2O2(OH)3 |
| 4.800(18.47) | 100 | 4.700(18.87) | 65 | 3.004(29.72) | 50 | Humboldtine | Fe++(C2O4)•2(H2O) |
| 4.800(18.47) | 100 | 3.670(24.23) | 100 | 3.280(27.16) | 100 | Davyne | Na4K2Ca2Si6Al6O24(SO4)Cl2 |
| 4.800(18.47) | 100 | 4.730(18.74) | 100 | 4.840(18.31) | 100 | Millisite | (Na,K)CaAl6(PO4)4(OH)9•3(H2O) |
| 4.805(18.45) | 100 | 5.830(15.18) | 89 | 3.533(25.19) | 84 | Gladiusite | Fe++2(Fe+++,Mg)4(PO4)(OH)13•H2O |
| 4.810(18.43) | 100 | 4.280(20.74) | 100 | 6.970(12.69) | 100 | Arthurite | CuFe+++2(AsO4,PO4,SO4)2(O,OH)2•4(H2O) |
| 4.810(18.43) | 100 | 3.690(24.10) | 100 | 3.290(27.08) | 100 | Microsommite | (Na,Ca,K)7-8(Si,Al)12O24(Cl,SO4)2-3 |
| 4.810(18.43) | 100 | 4.300(20.64) | 100 | 3.500(25.43) | 100 | Halotrichite | Fe++Al2(SO4)4•22(H2O) |
| 4.810(18.43) | 100 | 2.630(34.06) | 100 | 5.850(15.13) | 90 | Libethenite | Cu2(PO4)(OH) |
| 4.810(18.43) | 100 | 4.960(17.87) | 100 | 3.900(22.78) | 90 | Xitieshanite | Fe+++(SO4)(Cl)•7(H2O) |
| 4.811(18.43) | 100 | 4.046(21.95) | 69 | 5.058(17.52) | 43 | Romerite | Fe++Fe+++2(SO4)4•14(H2O) |
| 4.812(18.42) | 100 | 5.257(16.85) | 90 | 7.310(12.10) | 80 | Eakerite | Ca2SnAl2Si6O18(OH)2•2(H2O) |
| 4.813(18.42) | 100 | 4.704(18.85) | 84 | 2.998(29.78) | 58 | Lindbergite | Mn(C2O4)•2(H2O) |
| 4.820(18.39) | 100 | 2.445(36.73) | 100 | 9.600(9.20) | 100 | Asbolane | (Co,Ni)1-y(Mn++++O2)2-x(OH)2-2y+2x•n(H2O) |
| 4.820(18.39) | 100 | 5.680(15.59) | 90 | 2.560(35.02) | 65 | Borax | Na2B4O5(OH)4•8(H2O) |
| 4.820(18.39) | 100 | 4.340(20.45) | 40 | 4.300(20.64) | 20 | Gibbsite | Al(OH)3 |
| 4.820(18.39) | 100 | 3.510(25.35) | 90 | 4.320(20.54) | 35 | Pickeringite | MgAl2(SO4)4•22(H2O) |
| 4.820(18.39) | 100 | 2.700(33.15) | 53 | 4.000(22.21) | 47 | Orpiment | As2S3 |
| 4.830(18.35) | 100 | 11.100(7.96) | 50 | 7.070(12.51) | 40 | Zincaluminite | Zn6Al6(SO4)2(OH)26•5(H2O) |
| 4.830(18.35) | 100 | 4.320(20.54) | 100 | 4.110(21.60) | 100 | Kalinite | KAl(SO4)2•11(H2O) |
| 4.839(18.32) | 4.423(20.06) | 4.231(20.98) | Akdalaite | 5(Al2O3)•(H2O) | |||
| 4.840(18.31) | 100 | 4.800(18.47) | 100 | 4.730(18.74) | 100 | Millisite | (Na,K)CaAl6(PO4)4(OH)9•3(H2O) |
| 4.840(18.31) | 100 | 9.670(9.14) | 60 | 2.590(34.60) | 60 | Cyanophyllite | Cu++5Al2(SbO4)3(OH)7•9(H2O) |
| 4.840(18.31) | 100 | 2.590(34.60) | 60 | 9.670(9.14) | 60 | Cyanophyllite | Cu++5Al2(SbO4)3(OH)7•9(H2O) |
| 4.840(18.31) | 100 | 2.729(32.79) | 82 | 2.869(31.15) | 80 | Noelbensonite | BaMn+++2(Si2O7)(OH)2•(H2O) |
| 4.841(18.31) | 100 | 9.638(9.17) | 100 | 2.747(32.57) | 60 | Utahite | Cu5Zn3(Te++++++O4)4(OH)8•7(H2O) |
| 4.844(18.30) | 100 | 2.422(37.09) | 45 | 2.098(43.08) | 35 | Cryptohalite | (NH4)2SiF6 |
| 4.848(18.28) | 100 | 6.839(12.93) | 64 | 3.547(25.09) | 57 | Pattersonite | PbFe3(PO4)2(OH)4(H2O,OH)2 |
| 4.850(18.28) | 100 | 3.145(28.35) | 85 | 7.190(12.30) | 78 | Zektzerite | NaLiZrSi6O15 |
| 4.850(18.28) | 100 | 2.658(33.69) | 80 | 3.186(27.98) | 80 | Cyrilovite | NaFe+++3(PO4)2(OH)4•2(H2O) |
| 4.850(18.28) | 100 | 3.186(27.98) | 80 | 2.658(33.69) | 80 | Cyrilovite | NaFe+++3(PO4)2(OH)4•2(H2O) |
| 4.850(18.28) | 100 | 3.779(23.52) | 38 | 4.440(19.98) | 16 | Alpersite | (Mg,Cu)SO4•7H2O |
| 4.860(18.24) | 100 | 2.566(34.94) | 85 | 3.600(24.71) | 75 | Antlerite | Cu3(SO4)(OH)4 |
| 4.870(18.20) | 100 | 3.760(23.64) | 75 | 4.820(18.39) | 55 | Bieberite | CoSO4•7(H2O) |
| 4.880(18.16) | 100 | 4.510(19.67) | 80 | 2.900(30.81) | 80 | Kolbeckite | ScPO4•2(H2O) |
| 4.880(18.16) | 100 | 2.900(30.81) | 80 | 4.510(19.67) | 80 | Kolbeckite | ScPO4•2(H2O) |
| 4.880(18.16) | 100 | 3.770(23.58) | 70 | 4.820(18.39) | 45 | Zincmelanterite | (Zn,Cu,Fe++)SO4•7(H2O) |
| 4.886(18.14) | 100 | 3.776(23.54) | 21 | 5.494(16.12) | 14 | Caichengyunite | Fe++3Al2(SO4)6•30(H2O) |
| 4.890(18.13) | 100 | 2.680(33.41) | 100 | 2.450(36.65) | 50 | Mayenite | Ca12Al14O33 |
| 4.890(18.13) | 100 | 4.826(18.37) | 43 | 2.798(31.96) | 33 | Boothite | CuSO4•7(H2O) |
| 4.890(18.13) | 100 | 3.730(23.84) | 80 | 5.570(15.90) | 60 | Siderotil | Fe++SO4•5(H2O) |
| 4.890(18.13) | 100 | 3.640(24.43) | 90 | 3.270(27.25) | 80 | Tikhonenkovite | SrAl(OH)F4•(H2O) |
| 4.890(18.13) | 100 | 3.179(28.04) | 70 | 2.039(44.39) | 60 | Glushinskite | Mg(C2O4)•2(H2O) |
| 4.890(18.13) | 100 | 2.330(38.61) | 90 | 4.170(21.29) | 80 | Cualstibite | Cu++6Al3Sb3(OH)36 |
| 4.890(18.13) | 100 | 2.450(36.65) | 100 | 3.000(29.76) | 50 | Mayenite | Ca12Al14O33 |
| 4.897(18.10) | 100 | 1.887(48.18) | 100 | 2.342(38.40) | 88 | Zincalstibite | Zn2AlSb(OH)12 |
| 4.900(18.09) | 100 | 3.780(23.52) | 64 | 3.230(27.59) | 20 | Melanterite | Fe++SO4•7(H2O) |
| 4.908(18.06) | 100 | 5.654(15.66) | 90 | 4.371(20.30) | 60 | Wilcoxite | MgAl(SO4)2F•18(H2O) |
| 4.910(18.05) | 100 | 4.470(19.85) | 80 | 5.450(16.25) | 80 | Chvaleticeite | (Mn++,Mg)SO4•6(H2O) |
| 4.910(18.05) | 100 | 5.450(16.25) | 80 | 4.470(19.85) | 80 | Chvaleticeite | (Mn++,Mg)SO4•6(H2O) |
| 4.910(18.05) | 100 | 5.680(15.59) | 70 | 4.400(20.16) | 50 | Svyazhinite | MgAl(SO4)2F•14(H2O) |
| 4.920(18.01) | 100 | 5.490(16.13) | 70 | 4.880(18.16) | 55 | Mallardite | Mn++SO4•7(H2O) |
| 4.923(18.00) | 100 | 4.586(19.34) | 85 | 3.968(22.39) | 50 | Ludlamite | (Fe++,Mg,Mn)3(PO4)2•4(H2O) |
| 4.930(17.98) | 100 | 8.760(10.09) | 50 | 7.190(12.30) | 50 | Flagstaffite | C10H22O3 |
| 4.930(17.98) | 100 | 15.220(5.80) | 100 | 7.600(11.63) | 100 | Uranospathite | Al1-x[ ]x[(UO2)(PO4)]2(H2O)20+3xF1-3x |
| 4.930(17.98) | 100 | 7.190(12.30) | 50 | 8.760(10.09) | 50 | Flagstaffite | C10H22O3 |
| 4.930(17.98) | 100 | 7.600(11.63) | 100 | 15.220(5.80) | 100 | Uranospathite | Al1-x[ ]x[(UO2)(PO4)]2(H2O)20+3xF1-3x |
| 4.940(17.94) | 100 | 3.390(26.27) | 80 | 4.040(21.98) | 60 | Idrialite | C22H14 |
| 4.944(17.93) | 100 | 3.457(25.75) | 100 | 4.732(18.74) | 80 | Metadelrioite | CaSrV2O6(OH)2•(H2O) |
| 4.950(17.90) | 100 | 3.330(26.75) | 80 | 5.580(15.87) | 80 | Chadwickite | (UO2)H(AsO3) |
| 4.950(17.90) | 100 | 4.980(17.80) | 85 | 3.770(23.58) | 80 | Letovicite | (NH4)3H(SO4)2 |
| 4.950(17.90) | 100 | 5.580(15.87) | 80 | 3.330(26.75) | 80 | Chadwickite | (UO2)H(AsO3) |
| 4.960(17.87) | 100 | 10.600(8.33) | 90 | 9.530(9.27) | 85 | Mcauslanite | HFe++3Al2(PO4)4F•18(H2O) |
| 4.960(17.87) | 100 | 7.250(12.20) | 80 | 2.560(35.02) | 60 | Turanite | Cu5(VO4)2(OH)4 |
| 4.960(17.87) | 100 | 4.810(18.43) | 100 | 3.900(22.78) | 90 | Xitieshanite | Fe+++(SO4)(Cl)•7(H2O) |
| 4.970(17.83) | 100 | 3.150(28.31) | 80 | 3.590(24.78) | 60 | Butlerite | Fe+++(SO4)(OH)•2(H2O) |
| 4.970(17.83) | 100 | 3.200(27.86) | 80 | 4.140(21.45) | 60 | Brassite | Mg(AsO3OH)•4(H2O) |
| 4.980(17.80) | 100 | 3.260(27.33) | 85 | 3.050(29.26) | 75 | Moskvinite-(Y) | Na2K(Y,REE) [Si6O15] |
| 4.980(17.80) | 100 | 3.060(29.16) | 100 | 2.070(43.69) | 90 | Ursilite | (Mg,Ca)4[(UO2)4(OH)5/(Si2O5)5.5]•13(H2O) |
| 4.980(17.80) | 100 | 3.000(29.76) | 100 | 4.060(21.87) | 80 | Spiroffite | (Mn,Zn)2Te3O8 |
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