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X-Ray Diffraction Table |
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X-Ray Diffraction Table |
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 |
| 9.640(9.17) | 200 | 11.360(7.78) | 180 | 5.120(17.31) | 130 | Borax | Na2B4O5(OH)4·8(H2O) |
| 9.640(9.17) | 200 | 8.680(10.18) | 80 | 8.600(10.28) | 40 | Gibbsite | Al(OH)3 |
| 9.640(9.17) | 200 | 5.400(16.40) | 106 | 8.000(11.05) | 94 | Orpiment | As2S3 |
| 9.640(9.17) | 200 | 7.020(12.60) | 180 | 8.640(10.23) | 70 | Pickeringite | MgAl2(SO4)4·22(H2O) |
| 9.660(9.15) | 200 | 5.510(16.07) | 120 | 4.160(21.34) | 100 | IMA2009-022 | BiMo2+xO7(OH)·H2O |
| 9.660(9.15) | 200 | 22.200(3.98) | 100 | 14.140(6.25) | 80 | Zincaluminite | Zn6Al6(SO4)2(OH)26·5(H2O) |
| 9.678(9.13) | 8.846(9.99) | 8.462(10.45) | Akdalaite | 5(Al2O3)·(H2O) | |||
| 9.680(9.13) | 200 | 5.458(16.23) | 164 | 5.738(15.43) | 160 | Noelbensonite | BaMn+++2(Si2O7)(OH)2·(H2O) |
| 9.680(9.13) | 200 | 5.180(17.10) | 120 | 19.340(4.57) | 120 | Cyanophyllite | Cu++5Al2(SbO4)3(OH)7·9(H2O) |
| 9.682(9.13) | 200 | 19.276(4.58) | 200 | 5.494(16.12) | 120 | Utahite | Cu5Zn3(Te++++++O4)4(OH)8·7(H2O) |
| 9.688(9.12) | 200 | 4.844(18.30) | 90 | 4.196(21.16) | 70 | Cryptohalite | (NH4)2SiF6 |
| 9.696(9.11) | 200 | 13.678(6.46) | 128 | 7.094(12.47) | 114 | Pattersonite | PbFe3(PO4)2(OH)4(H2O,OH)2 |
| 9.700(9.11) | 200 | 7.558(11.70) | 76 | 8.880(9.95) | 32 | Alpersite | (Mg,Cu)SO4·7H2O |
| 9.700(9.11) | 200 | 6.290(14.07) | 170 | 14.380(6.14) | 156 | Zektzerite | NaLiZrSi6O15 |
| 9.700(9.11) | 200 | 5.316(16.66) | 160 | 6.372(13.89) | 160 | Cyrilovite | NaFe+++3(PO4)2(OH)4·2(H2O) |
| 9.720(9.09) | 200 | 5.132(17.26) | 170 | 7.200(12.28) | 150 | Antlerite | Cu3(SO4)(OH)4 |
| 9.740(9.07) | 200 | 7.520(11.76) | 150 | 9.640(9.17) | 110 | Bieberite | CoSO4·7(H2O) |
| 9.760(9.05) | 200 | 7.540(11.73) | 140 | 9.640(9.17) | 90 | Zincmelanterite | (Zn,Cu,Fe++)SO4·7(H2O) |
| 9.760(9.05) | 200 | 5.800(15.26) | 160 | 9.020(9.80) | 160 | Kolbeckite | ScPO4·2(H2O) |
| 9.768(9.05) | 200 | 5.982(14.80) | 184 | 4.952(17.90) | 170 | IMA2009-037 | Fe+++Cu++(As,Sb)O4 |
| 9.772(9.04) | 200 | 7.552(11.71) | 42 | 10.988(8.04) | 28 | Caichengyunite | Fe++3Al2(SO4)6·30(H2O) |
| 9.780(9.03) | 200 | 9.652(9.15) | 86 | 5.596(15.82) | 66 | Boothite | CuSO4·7(H2O) |
| 9.780(9.03) | 200 | 4.660(19.03) | 180 | 8.340(10.60) | 160 | Cualstibite | Cu++6Al3Sb3(OH)36 |
| 9.780(9.03) | 200 | 6.358(13.92) | 140 | 4.078(21.78) | 120 | Glushinskite | Mg(C2O4)·2(H2O) |
| 9.780(9.03) | 200 | 5.360(16.53) | 200 | 4.900(18.09) | 100 | Mayenite | Ca12Al14O33 |
| 9.780(9.03) | 200 | 7.460(11.85) | 160 | 11.140(7.93) | 120 | Siderotil | Fe++SO4·5(H2O) |
| 9.780(9.03) | 200 | 7.280(12.15) | 180 | 6.540(13.53) | 160 | Tikhonenkovite | SrAl(OH)F4·(H2O) |
| 9.800(9.02) | 200 | 7.560(11.70) | 128 | 6.460(13.70) | 40 | Melanterite | Fe++SO4·7(H2O) |
| 9.816(9.00) | 200 | 11.308(7.81) | 180 | 8.742(10.11) | 120 | Wilcoxite | MgAl(SO4)2F·18(H2O) |
| 9.820(9.00) | 200 | 8.940(9.89) | 160 | 10.900(8.10) | 160 | Chvaleticeite | (Mn++,Mg)SO4·6(H2O) |
| 9.820(9.00) | 200 | 11.360(7.78) | 140 | 8.800(10.04) | 100 | Svyazhinite | MgAl(SO4)2F·14(H2O) |
| 9.840(8.98) | 200 | 10.980(8.05) | 140 | 9.760(9.05) | 110 | Mallardite | Mn++SO4·7(H2O) |
| 9.846(8.97) | 200 | 9.172(9.63) | 170 | 7.936(11.14) | 100 | Ludlamite | (Fe++,Mg,Mn)3(PO4)2·4(H2O) |
| 9.860(8.96) | 200 | 14.380(6.14) | 100 | 17.520(5.04) | 100 | Flagstaffite | C10H22O3 |
| 9.860(8.96) | 200 | 15.200(5.81) | 200 | 30.440(2.90) | 200 | Uranospathite | Al1-x[ ]x[(UO2)(PO4)]2(H2O)20+3xF1-3x |
| 9.880(8.94) | 200 | 6.780(13.05) | 160 | 8.080(10.94) | 120 | Idrialite | C22H14 |
| 9.900(8.92) | 200 | 9.960(8.87) | 170 | 7.540(11.73) | 160 | Letovicite | (NH4)3H(SO4)2 |
| 9.900(8.92) | 200 | 6.660(13.28) | 160 | 11.160(7.92) | 160 | Chadwickite | (UO2)H(AsO3) |
| 9.920(8.91) | 200 | 14.500(6.09) | 160 | 5.120(17.31) | 120 | Turanite | Cu5(VO4)2(OH)4 |
| 9.920(8.91) | 200 | 21.200(4.16) | 180 | 19.060(4.63) | 170 | Mcauslanite | HFe++3Al2(PO4)4F·18(H2O) |
| 9.940(8.89) | 200 | 6.400(13.83) | 160 | 8.280(10.68) | 120 | Brassite | Mg(AsO3OH)·4(H2O) |
| 9.940(8.89) | 200 | 6.300(14.05) | 160 | 7.180(12.32) | 120 | Butlerite | Fe+++(SO4)(OH)·2(H2O) |
| 9.960(8.87) | 200 | 6.520(13.57) | 170 | 6.100(14.51) | 150 | Moskvinite-(Y) | Na2K(Y,REE) [Si6O15] |
| 10.000(8.84) | 200 | 8.480(10.42) | 160 | 12.580(7.02) | 120 | Cervelleite | Ag4TeS |
| 10.020(8.82) | 200 | 5.908(14.98) | 70 | 7.064(12.52) | 50 | Metamunirite | Na2[V+++++2O6] or NaVO3 |
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