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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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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 |
| 8.609(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 | 2.721(32.89) | 70 | 5.550(15.96) | 60 | Mitridatite | Ca2Fe+++3(PO4)3O2•3(H2O) |
| 8.640(10.23) | 100 | 1.430(65.18) | 80 | 4.320(20.54) | 80 | Scarbroite | Al5(CO3)(OH)13•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) |
| 8.650(10.22) | 100 | 3.570(24.92) | 100 | 3.310(26.91) | 90 | Metauranopilite | (UO2)6(SO4)(OH)10•5(H2O) |
| 8.660(10.21) | 100 | 2.996(29.80) | 90 | 2.833(31.55) | 90 | Jaffeite | Ca4(Si3O7)(OH)6 |
| 8.660(10.21) | 100 | 2.833(31.55) | 90 | 2.996(29.80) | 90 | Jaffeite | Ca4(Si3O7)(OH)6 |
| 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 | 4.760(18.63) | 80 | 4.320(20.54) | 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 | 11.300(7.82) | 100 | 3.570(24.92) | 80 | Amarantite | Fe+++(SO4)(OH)•3(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 | 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 | 3.630(24.50) | 90 | 1.840(49.50) | 80 | Natrobetpakdalite | (Na,Ca)3Fe+++2(As2Mo6O28)•15(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) |
| 8.740(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) |
| 8.809(10.03) | 100 | 13.600(6.49) | 73 | 3.083(28.94) | 60 | Clinojimthompsonite | (Mg,Fe++)5Si6O16(OH)2 |
| 8.810(10.03) | 100 | 2.940(30.38) | 90 | 2.860(31.25) | 70 | Ludlockite | (Fe++,Pb)As+++++2O6 |
| 8.810(10.03) | 100 | 11.510(7.67) | 56 | 9.560(9.24) | 31 | Mendozavilite | (Na,Mg)Ca2[Mo++++++8P+++++2Fe+++3O36(OH)]•n(H2O), n~9 |
| 8.810(10.03) | 100 | 10.900(8.10) | 90 | 2.940(30.38) | 90 | Ludlockite-(Pb) | PbFe+++4As+++10O22 |
| 8.810(10.03) | 100 | 2.860(31.25) | 90 | 3.160(28.22) | 70 | Ludlockite | (Fe++,Pb)As+++++2O6 |
| 8.810(10.03) | 100 | 2.940(30.38) | 90 | 10.900(8.10) | 90 | Ludlockite-(Pb) | PbFe+++4As+++10O22 |
| 8.812(10.03) | 100 | 13.600(6.49) | 57 | 3.092(28.85) | 53 | Jimthompsonite | (Mg,Fe++)5Si6O16(OH)2 |
| 8.820(10.02) | 100 | 2.832(31.57) | 90 | 2.845(31.42) | 80 | Niahite | (NH4)(Mn++,Mg,Ca)PO4•(H2O) |
| 8.830(10.01) | 100 | 3.750(23.71) | 100 | 3.020(29.55) | 90 | Haigerachite | KFe+++3(H2PO4)6(HPO4)2•4(H2O) |
| 8.830(10.01) | 100 | 2.943(30.35) | 20 | 4.210(21.08) | 10 | Fedotovite | K2Cu++3(SO4)3O |
| 8.830(10.01) | 100 | 4.210(21.08) | 20 | 4.410(20.12) | 10 | Fedotovite | K2Cu++3(SO4)3O |
| 8.840(1-) | 100 | 2.772(32.27) | 80 | 5.620(15.76) | 50 | Arseniosiderite | Ca2Fe+++3(AsO4)3O2•3(H2O) |
| 8.840(1-) | 100 | 3.170(28.13) | 80 | 3.380(26.35) | 70 | Tengchongite | CaU++++++6Mo++++++2O25•12(H2O) |
| 8.840(1-) | 100 | 4.430(20.03) | 40 | 1.540(60.02) | 20 | Honessite | Ni6Fe+++2(SO4)(OH)16•4(H2O) |
| 8.840(1-) | 100 | 1.540(60.02) | 40 | 2.620(34.20) | 20 | Honessite | Ni6Fe+++2(SO4)(OH)16•4(H2O) |
| 8.850(9.99) | 100 | 2.800(31.94) | 50 | 2.530(35.45) | 50 | Schollhornite | Na0.3CrS2•(H2O) |
| 8.850(9.99) | 100 | 2.530(35.45) | 50 | 2.800(31.94) | 50 | Schollhornite | Na0.3CrS2•(H2O) |
| 8.860(9.98) | 100 | 3.730(23.84) | 100 | 5.570(15.90) | 80 | Metazeunerite | Cu(UO2)2(AsO4)2•8(H2O) |
| 8.870(9.96) | 100 | 2.998(29.78) | 80 | 6.290(14.07) | 60 | Botryogen | MgFe+++(SO4)2(OH)•7(H2O) |
| 8.890(9.94) | 100 | 7.830(11.29) | 100 | 1.481(62.68) | 80 | Ankinovichite | (Ni,Zn)Al4(VO3)2(OH)12(H2O)2.5 |
| 8.900(9.93) | 100 | 2.720(32.90) | 100 | 3.290(27.08) | 90 | Kolfanite | Ca2Fe+++3O2(AsO4)3•2(H2O) |
| 8.900(9.93) | 100 | 3.231(27.58) | 80 | 8.410(10.51) | 60 | Allanpringite | Fe3(PO4)2(OH)3•5H2O |
| 8.900(9.93) | 100 | 4.470(19.85) | 90 | 2.550(35.16) | 60 | Zincowoodwardite-1T | [Zn1BxAlx(OH)2][(SO4)x/2•n(H2O)], x = 0.33, n . 0.96 |
| 8.906(9.92) | 100 | 10.565(8.36) | 80 | 7.424(11.91) | 80 | Obradovicite | H4(K,Na)Cu++Fe+++2(AsO4)(MoO4)5•12(H2O) |
| 8.906(9.92) | 100 | 7.424(11.91) | 80 | 10.565(8.36) | 80 | Obradovicite | H4(K,Na)Cu++Fe+++2(AsO4)(MoO4)5•12(H2O) |
| 8.910(9.92) | 100 | 7.300(12.11) | 50 | 11.490(7.69) | 40 | Betpakdalite | [Mg(H2O)6]Ca2(H2O)13[Mo++++++8As+++++2Fe+++3O36(OH)]•4(H2O) |
| 8.920(9.91) | 100 | 3.730(23.84) | 65 | 3.250(27.42) | 55 | Meta-ankoleite | K2(UO2)2(PO4)2•6(H2O) |
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