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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 |
| 4.638(19.12) | 200 | 3.278(27.18) | 120 | 2.676(33.46) | 34 | Villiaumite | NaF |
| 4.650(19.07) | 200 | 5.260(16.84) | 200 | 5.760(15.37) | 200 | Makinenite | NiSe |
| 4.660(19.03) | 200 | 9.420(9.38) | 200 | 7.960(11.11) | 180 | Donbassite | Al2[Al2.33][Si3AlO10](OH)8 |
| 4.662(19.02) | 200 | 5.688(15.57) | 180 | 6.210(14.25) | 180 | Franciscanite-III | Mn++6V+++++2Si2(O,OH)14 |
| 4.662(19.02) | 200 | 6.210(14.25) | 180 | 5.688(15.57) | 180 | Franciscanite-VIII | Mn++3(V+++++,[ ])1-x(SiO4)(O,OH)3(x=0.5) |
| 4.662(19.02) | 200 | 5.100(17.37) | 80 | 5.580(15.87) | 60 | Cadmium | Cd |
| 4.670(18.99) | 200 | 9.220(9.58) | 190 | 3.510(25.35) | 100 | Theophrastite | Ni(OH)2 |
| 4.680(18.95) | 200 | 2.548(35.19) | 160 | 2.804(31.89) | 110 | Potarite | PdHg |
| 4.680(18.95) | 200 | 2.700(33.15) | 70 | 3.300(27.00) | 34 | Tantalum | Ta |
| 4.680(18.95) | 200 | 8.320(10.62) | 200 | 6.380(13.87) | 160 | Widenmannite | Pb2(UO2)(CO3)3 |
| 4.680(18.95) | 200 | 8.020(11.02) | 200 | 7.280(12.15) | 180 | Beryllite | Be3SiO4(OH)2·(H2O) |
| 4.680(18.95) | 200 | 4.380(20.26) | 200 | 4.120(21.55) | 200 | Siderazot | Fe5N2 |
| 4.684(18.93) | 200 | 3.165(28.17) | 60 | 2.941(30.37) | 40 | Novodneprite | AuPb3 |
| 4.690(18.91) | 200 | 5.480(16.16) | 180 | 5.588(15.85) | 180 | Jalpaite | Ag3CuS2 |
| 4.708(18.83) | 200 | 5.348(16.56) | 180 | 14.060(6.28) | 170 | Tuliokite | BaNa6Th(CO3)6·6(H2O) |
| 4.710(18.83) | 200 | 4.078(21.78) | 104 | 2.460(36.49) | 72 | Gold | Au |
| 4.718(18.79) | 200 | 4.088(21.72) | 80 | 2.462(36.46) | 52 | Silver | Ag |
| 4.720(18.78) | 200 | 2.730(32.78) | 140 | 2.472(36.31) | 120 | Moschellandsbergite | Ag2Hg3 |
| 4.720(18.78) | 200 | 5.340(16.59) | 160 | 5.040(17.58) | 100 | Moissanite | SiC |
| 4.720(18.78) | 200 | 2.460(36.49) | 160 | 4.090(21.71) | 120 | Bogdanovite | (Au,Te,Pb)3(Cu,Fe) |
| 4.720(18.78) | 200 | 2.448(36.68) | 180 | 4.080(21.76) | 140 | Aluminum | Al |
| 4.730(18.74) | 200 | 9.540(9.26) | 180 | 3.588(24.79) | 110 | Brucite | Mg(OH)2 |
| 4.740(18.70) | 200 | 5.860(15.11) | 120 | 4.280(20.74) | 100 | Hibbingite | (Fe,Mg)2(OH)3Cl |
| 4.740(18.70) | 200 | 2.464(36.43) | 160 | 4.100(21.66) | 140 | Bilibinskite | Au3Cu2PbTe2 |
| 4.740(18.70) | 200 | 1.900(47.83) | 160 | 4.200(21.14) | 160 | Eugenite | Ag9Hg2 |
| 4.740(18.70) | 200 | 4.504(19.69) | 120 | 5.096(17.39) | 80 | Allargentum | Ag1-xSbx(x=0.009-0.16) |
| 4.744(18.69) | 200 | 9.660(9.15) | 180 | 5.314(16.67) | 160 | Cumengite | Cu20Pb21Cl42(OH)40·6H2O |
| 4.746(18.68) | 200 | 12.920(6.84) | 152 | 5.690(15.56) | 110 | Drysdallite | Mo(Se,S)2 |
| 4.758(18.63) | 200 | 5.144(17.22) | 160 | 5.194(17.06) | 110 | Safflorite | (Co,Fe)As2 |
| 4.760(18.63) | 200 | 7.860(11.25) | 180 | 7.600(11.63) | 160 | Behoite | Be(OH)2 |
| 4.760(18.63) | 200 | 5.480(16.16) | 160 | 5.200(17.04) | 120 | Poyarkovite | Hg3ClO |
| 4.768(18.59) | 200 | 5.616(15.77) | 160 | 6.352(13.93) | 160 | Karibibite | Fe+++2As+++4(O,OH)9 |
| 4.772(18.58) | 200 | 11.400(7.75) | 160 | 10.720(8.24) | 140 | Kempite | Mn2Cl(OH)3 |
| 4.778(18.55) | 200 | 4.200(21.14) | 160 | 7.276(12.15) | 160 | Vasilite | (Pd,Cu)16(S,Te)7 |
| 4.780(18.55) | 200 | 5.240(16.91) | 200 | 3.530(25.21) | 180 | Trogtalite | CoSe2 |
| 4.780(18.55) | 200 | 5.526(16.03) | 200 | 7.478(11.82) | 160 | Buckhornite | AuPb2BiTe2S3 |
| 4.780(18.55) | 200 | 4.300(20.64) | 120 | 6.220(14.23) | 120 | Vernadite | (Mn++++,Fe+++,Ca,Na)(O,OH)2·n(H2O) |
| 4.782(18.54) | 200 | 5.620(15.76) | 60 | 2.392(37.57) | 52 | Hunchunite | (Au,Ag)2Pb |
| 4.786(18.52) | 200 | 6.156(14.38) | 200 | 7.600(11.63) | 180 | Rohaite | TlCu5SbS2 |
| 4.798(18.48) | 200 | 3.308(26.93) | 160 | 6.220(14.23) | 160 | Cryptomelane | K(Mn++++,Mn++)8O16 |
| 4.808(18.44) | 200 | 8.178(10.81) | 200 | 5.264(16.83) | 66 | Tsumgallite | GaO(OH) |
| 4.810(18.43) | 200 | 3.402(26.17) | 90 | 5.556(15.94) | 68 | Lime | CaO |
| 4.812(18.42) | 200 | 14.034(6.29) | 196 | 6.272(14.11) | 184 | Manjiroite | (Na,K)(Mn++++,Mn++)8O16·n(H2O) |
| 4.816(18.41) | 200 | 2.838(31.50) | 160 | 4.104(21.64) | 140 | Magnesiotaaffeite-6N3S | (Mg,Fe++,Zn)2Al6BeO12 |
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