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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 |
| 4.665(19.01) | 100 | 3.310(26.91) | 90 | 2.214(40.72) | 80 | Akatoreite | (Mn++,Fe++)9Al2Si8O24(OH)8 |
| 4.670(18.99) | 100 | 5.500(16.10) | 100 | 5.100(17.37) | 80 | Pascoite | Ca3V10O28•17(H2O) |
| 4.672(18.98) | 100 | 3.150(28.31) | 100 | 3.413(26.09) | 90 | Tancoite | HNa2LiAl(PO4)2(OH) |
| 4.680(18.95) | 100 | 3.380(26.35) | 90 | 9.390(9.41) | 70 | Kratochvilite | (C6H4)2CH2 |
| 4.687(18.92) | 100 | 4.337(20.46) | 80 | 10.120(8.73) | 70 | Metavauxite | Fe++Al2(PO4)2(OH)2•8(H2O) |
| 4.688(18.91) | 100 | 3.273(27.22) | 88 | 2.865(31.19) | 70 | Thometzekite | Pb(Cu,Zn)2(AsO4)2•2(H2O) |
| 4.689(18.91) | 100 | 2.447(36.70) | 75 | 2.344(38.37) | 45 | Nitrobarite | Ba(NO3)2 |
| 4.690(18.91) | 30 | 4.280(20.74) | 20 | 2.981(29.95) | 100 | Pautovite | CsFe2S3 |
| 4.690(18.91) | 100 | 3.260(27.33) | 100 | 2.028(44.65) | 90 | Yttrotungstite-(Y) | YW2O6(OH)3 |
| 4.699(18.87) | 100 | 3.322(26.81) | 50 | 2.865(31.19) | 40 | Orthominasragrite | VO(SO4)•5(H2O) |
| 4.699(18.87) | 100 | 2.349(38.28) | 70 | 2.877(31.06) | 65 | Hieratite | K2SiF6 |
| 4.700(18.87) | 100 | 2.450(36.65) | 50 | 3.830(23.20) | 50 | Doloresite | H8V++++6O16 |
| 4.700(18.87) | 100 | 3.830(23.20) | 50 | 2.450(36.65) | 50 | Doloresite | H8V++++6O16 |
| 4.700(18.87) | 100 | 2.921(30.58) | 100 | 2.887(30.95) | 100 | Larderellite | (NH4)B5O6(OH)4 |
| 4.704(18.85) | 100 | 3.343(26.64) | 47 | 3.539(25.14) | 45 | Lunijianlaite | LiAl6(Si7Al)O20(OH)10 |
| 4.706(18.84) | 100 | 3.505(25.39) | 100 | 4.767(18.60) | 100 | Acuminite | SrAlF4(OH)•(H2O) |
| 4.710(18.83) | 100 | 2.330(38.61) | 100 | 3.980(22.32) | 90 | Donbassite | Al2[Al2.33][Si3AlO10](OH)8 |
| 4.714(18.81) | 100 | 3.143(28.37) | 70 | 9.428(9.37) | 68 | Lithiophorite | (Al,Li)Mn++++O2(OH)2 |
| 4.720(18.78) | 100 | 3.052(29.24) | 80 | 6.441(13.74) | 70 | Kinoite | Ca2Cu2Si3O8(OH)4 |
| 4.720(18.78) | 100 | 2.562(34.99) | 100 | 2.489(36.06) | 100 | Cornubite | Cu5(AsO4)2(OH)4 |
| 4.725(18.76) | 100 | 2.999(29.77) | 75 | 3.086(28.91) | 75 | Wardite | NaAl3(PO4)2(OH)4•2(H2O) |
| 4.725(18.76) | 100 | 3.086(28.91) | 75 | 2.999(29.77) | 75 | Wardite | NaAl3(PO4)2(OH)4•2(H2O) |
| 4.730(18.74) | 100 | 4.800(18.47) | 100 | 4.840(18.31) | 100 | Millisite | (Na,K)CaAl6(PO4)4(OH)9•3(H2O) |
| 4.730(18.74) | 100 | 3.710(23.97) | 85 | 3.990(22.26) | 60 | Chalcanthite | CuSO4•5(H2O) |
| 4.730(18.74) | 100 | 4.840(18.31) | 100 | 4.800(18.47) | 100 | Millisite | (Na,K)CaAl6(PO4)4(OH)9•3(H2O) |
| 4.732(18.74) | 100 | 3.342(26.65) | 100 | 3.024(29.51) | 70 | Dwornikite | (Ni,Fe++)SO4•(H2O) |
| 4.733(18.73) | 100 | 4.386(20.23) | 100 | 2.662(33.64) | 100 | Flinkite | Mn++2Mn+++(AsO4)(OH)4 |
| 4.734(18.73) | 100 | 1.922(47.25) | 90 | 2.489(36.06) | 50 | Jacquesdietrichite | Cu2[BO(OH)2](OH)3 |
| 4.734(18.73) | 100 | 3.941(22.54) | 90 | 1.922(47.25) | 50 | Jacquesdietrichite | Cu2[BO(OH)2](OH)3 |
| 4.740(18.70) | 70 | 2.250(40.04) | 70 | 1.819(50.11) | 70 | Fullerite | C60 |
| 4.740(18.70) | 70 | 2.250(40.04) | 70 | 2.290(39.31) | 70 | Fullerite | C60 |
| 4.740(18.70) | 70 | 1.819(50.11) | 70 | 2.250(40.04) | 70 | Fullerite | C60 |
| 4.758(18.63) | 100 | 2.705(33.09) | 95 | 4.227(21.00) | 65 | Metavariscite | AlPO4•2(H2O) |
| 4.760(18.63) | 7.710(11.47) | 11.000(8.03) | Karpinskite | (Mg,Ni)2Si2O5(OH)2 (?) | |||
| 4.760(18.63) | 100 | 3.090(28.87) | 80 | 9.090(9.72) | 60 | Kleemanite | ZnAl2(PO4)2(OH)2•3(H2O) |
| 4.767(18.60) | 100 | 4.706(18.84) | 100 | 3.505(25.39) | 100 | Acuminite | SrAlF4(OH)•(H2O) |
| 4.770(18.59) | 100 | 6.390(13.85) | 80 | 3.180(28.04) | 70 | Mangangordonite | (Mn++,Fe++,Mg)Al2(PO4)2(OH)2•8(H2O) |
| 4.770(18.59) | 100 | 3.270(27.25) | 100 | 6.390(13.85) | 75 | Pitiglianoite | Na6K2Si6Al6O24(SO4)•2(H2O) |
| 4.780(18.55) | 100 | 2.390(37.60) | 40 | 2.260(39.86) | 40 | Nordstrandite | Al(OH)3 |
| 4.780(18.55) | 100 | 4.072(21.81) | 80 | 3.748(23.72) | 80 | Derriksite | Cu4(UO2)(SeO3)2(OH)6 |
| 4.780(18.55) | 100 | 2.260(39.86) | 40 | 2.390(37.60) | 40 | Nordstrandite | Al(OH)3 |
| 4.780(18.55) | 100 | 3.748(23.72) | 80 | 4.072(21.81) | 80 | Derriksite | Cu4(UO2)(SeO3)2(OH)6 |
| 4.790(18.51) | 100 | 4.640(19.11) | 100 | 2.270(39.67) | 50 | Felsobanyaite | Al4(SO4)(OH)10•5(H2O) |
| 4.790(18.51) | 100 | 3.494(25.47) | 92 | 3.768(23.59) | 33 | Wupatkiite | (Co,Mg,Ni)Al2(SO4)4•22(H2O) |
| 4.790(18.51) | 100 | 2.590(34.60) | 100 | 9.540(9.26) | 100 | Chalcophyllite | Cu++18Al2(AsO4)3(SO4)3(OH)27•33(H2O) |
| 4.790(18.51) | 100 | 3.510(25.35) | 78 | 5.070(17.48) | 70 | Lishizhenite | ZnFe+++2(SO4)4•14(H2O) |
| 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 | 4.730(18.74) | 100 | 4.840(18.31) | 100 | Millisite | (Na,K)CaAl6(PO4)4(OH)9•3(H2O) |
| 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 |
| 4.805(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 | 4.300(20.64) | 100 | 3.500(25.43) | 100 | Halotrichite | Fe++Al2(SO4)4•22(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 | 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 | 4.340(20.45) | 40 | 4.300(20.64) | 20 | Gibbsite | Al(OH)3 |
| 4.820(18.39) | 100 | 2.700(33.15) | 53 | 4.000(22.21) | 47 | Orpiment | As2S3 |
| 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 | 3.510(25.35) | 90 | 4.320(20.54) | 35 | Pickeringite | MgAl2(SO4)4•22(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) |
| 4.830(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 | 2.658(33.69) | 80 | 3.186(27.98) | 80 | Cyrilovite | NaFe+++3(PO4)2(OH)4•2(H2O) |
| 4.850(18.28) | 100 | 3.145(28.35) | 85 | 7.190(12.30) | 78 | Zektzerite | NaLiZrSi6O15 |
| 4.850(18.28) | 100 | 3.779(23.52) | 38 | 4.440(19.98) | 16 | Alpersite | (Mg,Cu)SO4•7H2O |
| 4.850(18.28) | 100 | 3.186(27.98) | 80 | 2.658(33.69) | 80 | Cyrilovite | NaFe+++3(PO4)2(OH)4•2(H2O) |
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