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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 |
| 4.960(17.87) | 100 | 7.250(12.20) | 80 | 2.560(35.02) | 60 | Turanite | Cu5(VO4)2(OH)4 |
| 4.960(17.87) | 100 | 10.600(8.33) | 90 | 9.530(9.27) | 85 | Mcauslanite | HFe++3Al2(PO4)4F•18(H2O) |
| 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 |
| 4.990(17.76) | 100 | 3.110(28.68) | 100 | 5.850(15.13) | 60 | Parabutlerite | Fe+++(SO4)(OH)•2(H2O) |
| 5.000(17.72) | 100 | 3.230(27.59) | 100 | 2.110(42.82) | 80 | Vanuranylite | (H3O,Ba,Ca,K)1.6(UO2)2V2O8•4(H2O) (?) |
| 5.000(17.72) | 100 | 4.240(20.93) | 80 | 6.290(14.07) | 60 | Cervelleite | Ag4TeS |
| 5.000(17.72) | 100 | 2.820(31.70) | 100 | 5.400(16.40) | 100 | Atacamite | Cu2Cl(OH)3 |
| 5.010(17.69) | 100 | 2.954(30.23) | 35 | 3.532(25.19) | 25 | Metamunirite | Na2[V+++++2O6] or NaVO3 |
| 5.030(17.62) | 100 | 5.560(15.93) | 100 | 9.460(9.34) | 100 | Chabazite-K | (K2,Ca,Na2,Mg)[Al2Si4O12]•6(H2O) |
| 5.030(17.62) | 100 | 2.970(30.06) | 80 | 2.310(38.96) | 80 | Mackinawite | (Fe,Ni)S0.9 |
| 5.030(17.62) | 100 | 9.460(9.34) | 100 | 5.560(15.93) | 100 | Chabazite-Na | (Na2,K2,Ca,Mg)[Al2Si4O12]•6(H2O) |
| 5.030(17.62) | 100 | 9.460(9.34) | 100 | 5.560(15.93) | 100 | Chabazite-K | (K2,Ca,Na2,Mg)[Al2Si4O12]•6(H2O) |
| 5.030(17.62) | 100 | 2.310(38.96) | 80 | 2.970(30.06) | 80 | Mackinawite | (Fe,Ni)S0.9 |
| 5.030(17.62) | 100 | 3.550(25.06) | 90 | 2.509(35.76) | 75 | Kamiokite | Fe2Mo3O8 |
| 5.030(17.62) | 100 | 5.560(15.93) | 100 | 9.460(9.34) | 100 | Chabazite-Na | (Na2,K2,Ca,Mg)[Al2Si4O12]•6(H2O) |
| 5.036(17.60) | 100 | 3.852(23.07) | 100 | 9.120(9.69) | 100 | Sieleckiite | Cu3Al4(PO4)2(OH)12•2(H2O) |
| 5.040(17.58) | 100 | 5.690(15.56) | 70 | 3.355(26.55) | 30 | Ferrocarpholite | (Fe++,Mg)Al2Si2O6(OH)4 |
| 5.040(17.58) | 100 | 5.170(17.14) | 100 | 5.480(16.16) | 80 | Grandidierite | (Mg,Fe++)Al3(BO4)(SiO4)O |
| 5.041(17.58) | 100 | 2.518(35.63) | 77 | 2.947(30.30) | 44 | Melanothallite | Cu2OCl2 |
| 5.049(17.55) | 100 | 3.005(29.71) | 65 | 5.901(15.00) | 59 | Galgenbergite-(Ce) | Ca(REE)2(CO3)4•(H2O) |
| 5.050(17.55) | 100 | 2.180(41.38) | 90 | 2.790(32.05) | 75 | Ominelite | (Fe++,Mg)Al3BSiO9 |
| 5.050(17.55) | 100 | 2.990(29.86) | 80 | 2.740(32.65) | 80 | Brazilianite | NaAl3(PO4)2(OH)4 |
| 5.050(17.55) | 100 | 2.740(32.65) | 80 | 2.990(29.86) | 80 | Brazilianite | NaAl3(PO4)2(OH)4 |
| 5.050(17.55) | 100 | 5.210(17.00) | 90 | 2.180(41.38) | 75 | Ominelite | (Fe++,Mg)Al3BSiO9 |
| 5.050(17.55) | 100 | 5.570(15.90) | 75 | 4.940(17.94) | 65 | Phosphammite | (NH4)2HPO4 |
| 5.060(17.51) | 100 | 3.060(29.16) | 80 | 3.120(28.59) | 70 | Natrojarosite | NaFe+++3(SO4)2(OH)6 |
| 5.060(17.51) | 100 | 5.530(16.01) | 100 | 7.000(12.64) | 60 | Dinite | C20H36 |
| 5.068(17.48) | 100 | 4.054(21.91) | 85 | 2.257(39.91) | 75 | Bigcreekite | BaSi2O5•4(H2O) |
| 5.068(17.48) | 100 | 3.802(23.38) | 94 | 3.033(29.42) | 89 | Lecontite | (NH4,K)Na(SO4)•2(H2O) |
| 5.070(17.48) | 100 | 4.120(21.55) | 80 | 3.590(24.78) | 20 | Cupalite | (Cu,Zn)Al |
| 5.070(17.48) | 100 | 2.450(36.65) | 70 | 8.930(9.90) | 70 | Zaratite | Ni3(CO3)(OH)4•4(H2O) |
| 5.070(17.48) | 100 | 8.930(9.90) | 70 | 2.450(36.65) | 70 | Zaratite | Ni3(CO3)(OH)4•4(H2O) |
| 5.080(17.44) | 100 | 3.750(23.71) | 100 | 3.240(27.51) | 100 | Chayesite | K(Mg,Fe++)4Fe+++(Si12O30) |
| 5.081(17.44) | 100 | 2.627(34.10) | 57 | 3.779(23.52) | 39 | IMA2008-069 | Na3Y(CO3)3•6H2O |
| 5.081(17.44) | 100 | 9.820(9.00) | 57 | 2.627(34.10) | 39 | IMA2008-069 | Na3Y(CO3)3•6H2O |
| 5.090(17.41) | 100 | 2.970(30.06) | 57 | 9.040(9.78) | 53 | Makatite | Na2Si4O8(OH)2•4(H2O) |
| 5.090(17.41) | 100 | 3.370(26.43) | 100 | 3.300(27.00) | 100 | Jungite | Ca2Zn4Fe+++8(PO4)9(OH)9•16(H2O) |
| 5.100(17.37) | 100 | 2.040(44.37) | 100 | 10.100(8.75) | 60 | Uranocircite | Ba(UO2)2(PO4)2•12(H2O) |
| 5.100(17.37) | 100 | 3.130(28.49) | 90 | 3.090(28.87) | 65 | Hydroniumjarosite | (H3O)Fe+++3(SO4)2(OH)6 |
| 5.114(17.33) | 100 | 2.559(35.04) | 91 | 2.169(41.60) | 57 | Chestermanite | Mg2(Fe+++,Mg,Al,Sb+++++)BO3O2 |
| 5.115(17.32) | 100 | 12.100(7.30) | 56 | 2.617(34.24) | 32 | Montgomeryite | Ca4MgAl4(PO4)6(OH)4•12(H2O) |
| 5.120(17.31) | 100 | 7.130(12.40) | 90 | 3.028(29.47) | 80 | Coyoteite | NaFe3S5•2(H2O) |
| 5.120(17.31) | 100 | 2.515(35.67) | 70 | 2.547(35.21) | 70 | Ludwigite | Mg2Fe+++BO5 |
| 5.120(17.31) | 100 | 2.547(35.21) | 70 | 2.515(35.67) | 70 | Ludwigite | Mg2Fe+++BO5 |
| 5.130(17.27) | 100 | 3.253(27.39) | 100 | 2.815(31.76) | 60 | Poudretteite | KNa2B3Si12O30 |
| 5.135(17.25) | 100 | 3.907(22.74) | 70 | 5.431(16.31) | 60 | Minasragrite | VO(SO4)•5(H2O) |
| 5.140(17.24) | 100 | 7.720(11.45) | 70 | 3.580(24.85) | 70 | Nitrocalcite | Ca(NO3)2•4(H2O) |
| 5.140(17.24) | 100 | 10.370(8.52) | 100 | 8.290(10.66) | 90 | Mooreite | (Mg,Zn,Mn)15(SO4)2(OH)26•8(H2O) |
| 5.140(17.24) | 100 | 3.210(27.77) | 100 | 2.510(35.74) | 90 | Paralaurionite | PbCl(OH) |
| 5.140(17.24) | 100 | 3.580(24.85) | 70 | 7.720(11.45) | 70 | Nitrocalcite | Ca(NO3)2•4(H2O) |
| 5.140(17.24) | 28 | 4.550(19.49) | 43 | 3.671(24.22) | 32 | Qaqarssukite-(Ce) | Ba(Ce,REE)(CO3)2F |
| 5.140(17.24) | 100 | 5.560(15.93) | 91 | 3.750(23.71) | 78 | Pararealgar | AsS |
| 5.140(17.24) | 100 | 3.400(26.19) | 80 | 4.530(19.58) | 60 | Lautenthalite | PbCu++4(OH)6(SO4)2•3(H2O) |
| 5.150(17.20) | 100 | 2.624(34.14) | 60 | 12.280(7.19) | 50 | Kingsmountite | (Ca,Mn++)4(Fe++,Mn++)Al4(PO4)6(OH)4•12(H2O) |
| 5.150(17.20) | 100 | 5.470(16.19) | 60 | 3.920(22.66) | 50 | Patronite | VS4 |
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