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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 |
| 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) |
| 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 | 3.770(23.58) | 70 | 4.820(18.39) | 45 | Zincmelanterite | (Zn,Cu,Fe++)SO4•7(H2O) |
| 4.880(18.16) | 100 | 2.900(30.81) | 80 | 4.510(19.67) | 80 | Kolbeckite | ScPO4•2(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 | 2.450(36.65) | 100 | 3.000(29.76) | 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 | 2.680(33.41) | 100 | 2.450(36.65) | 50 | Mayenite | Ca12Al14O33 |
| 4.890(18.13) | 100 | 2.330(38.61) | 90 | 4.170(21.29) | 80 | Cualstibite | Cu++6Al3Sb3(OH)36 |
| 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 | 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) |
| 4.910(18.05) | 100 | 4.470(19.85) | 80 | 5.450(16.25) | 80 | Chvaleticeite | (Mn++,Mg)SO4•6(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 | 7.600(11.63) | 100 | 15.220(5.80) | 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 |
| 4.940(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 | 3.200(27.86) | 80 | 4.140(21.45) | 60 | Brassite | Mg(AsO3OH)•4(H2O) |
| 4.970(17.83) | 100 | 3.150(28.31) | 80 | 3.590(24.78) | 60 | Butlerite | Fe+++(SO4)(OH)•2(H2O) |
| 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 |
| 4.980(17.80) | 100 | 3.260(27.33) | 85 | 3.050(29.26) | 75 | Moskvinite-(Y) | Na2K(Y,REE) [Si6O15] |
| 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 | 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 |
| 5.000(17.72) | 100 | 3.230(27.59) | 100 | 2.110(42.82) | 80 | Vanuranylite | (H3O,Ba,Ca,K)1.6(UO2)2V2O8•4(H2O) (?) |
| 5.010(17.69) | 100 | 2.954(30.23) | 35 | 3.532(25.19) | 25 | Metamunirite | Na2[V+++++2O6] or NaVO3 |
| 5.030(17.62) | 100 | 9.460(9.34) | 100 | 5.560(15.93) | 100 | Chabazite-K | (K2,Ca,Na2,Mg)[Al2Si4O12]•6(H2O) |
| 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 | 2.970(30.06) | 80 | 2.310(38.96) | 80 | Mackinawite | (Fe,Ni)S0.9 |
| 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-K | (K2,Ca,Na2,Mg)[Al2Si4O12]•6(H2O) |
| 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) |
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