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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 |
| 4.730(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 | 4.504(19.69) | 120 | 5.096(17.39) | 80 | Allargentum | Ag1-xSbx(x=0.009-0.16) |
| 4.740(18.70) | 200 | 1.900(47.83) | 160 | 4.200(21.14) | 160 | Eugenite | Ag9Hg2 |
| 4.740(18.70) | 200 | 2.464(36.43) | 160 | 4.100(21.66) | 140 | Bilibinskite | Au3Cu2PbTe2 |
| 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 | 4.300(20.64) | 120 | 6.220(14.23) | 120 | Vernadite | (Mn++++,Fe+++,Ca,Na)(O,OH)2·n(H2O) |
| 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 |
| 4.782(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 |
| 4.820(18.39) | 200 | 4.380(20.26) | 170 | 6.960(12.71) | 120 | Romanechite | (Ba,H2O)2(Mn++++,Mn+++)5O10 |
| 4.820(18.39) | 200 | 20.060(4.40) | 190 | 5.180(17.10) | 134 | IMA2009-017 | KMg2.5Si4O10F2 |
| 4.820(18.39) | 200 | 3.074(29.02) | 120 | 4.600(19.28) | 100 | Maldonite | Au2Bi |
| 4.820(18.39) | 200 | 8.940(9.89) | 200 | 6.264(14.13) | 60 | Reichenbachite | Cu++5(PO4)2(OH)4 |
| 4.840(18.31) | 200 | 2.850(31.36) | 160 | 5.200(17.04) | 160 | Zincohogbomite-2N2S | (Zn,Fe++)(2-2x)(Ti)xAl4O8 |
| 4.840(18.31) | 200 | 5.420(16.34) | 200 | 5.700(15.53) | 160 | Crednerite | CuMnO2 |
| 4.840(18.31) | 200 | 5.700(15.53) | 180 | 3.100(28.77) | 120 | Ferronigerite-2N1S | (Zn,Mg,Fe++)(Sn,Zn)2(Al,Fe+++)12O22(OH)2 |
| 4.840(18.31) | 200 | 4.200(21.14) | 100 | 6.100(14.51) | 80 | Telargpalite | (Pd,Ag)3Te |
| 4.844(18.30) | 200 | 8.900(9.93) | 164 | 5.146(17.22) | 130 | Hydroxylborite | Mg3(BO3)(OH,F)3 |
| 4.844(18.30) | 200 | 5.712(15.50) | 160 | 2.852(31.34) | 100 | Ferrotaaffeite-6N3S | (Fe++,Zn,Mg)2Al6BeO12 |
| 4.846(18.29) | 200 | 4.492(19.75) | 180 | 2.742(32.63) | 160 | Atheneite | (Pd,Hg)3As |
| 4.846(18.29) | 200 | 5.692(15.56) | 180 | 2.828(31.61) | 100 | Magnesionigerite-6N6S | (Mg,Zn,Fe+++,Al)4(Sn,Fe+++)2Al10O22(OH)2 |
| 4.846(18.29) | 200 | 5.692(15.56) | 180 | 2.828(31.61) | 100 | Magnesionigerite-2N1S | (Mg,Zn,Fe+++,Al)4(Sn,Fe+++)2Al10O22(OH)2 |
| 4.852(18.27) | 200 | 5.782(15.31) | 170 | 5.626(15.74) | 160 | Selenojalpaite | Ag3CuSe2 |
| 4.854(18.26) | 200 | 5.206(17.02) | 176 | 2.860(31.25) | 112 | Ferrohogbomite-2N2S | (Fe++,Zn,Mg,Al)6Al14(Ti,Fe)2O30(OH)2 |
| 4.860(18.24) | 200 | 2.852(31.34) | 160 | 2.872(31.11) | 120 | Magnesiohogbomite-2N3S | (Mg,Fe++)1.4Ti0.3Al4O8 |
| 4.860(18.24) | 200 | 5.760(15.37) | 100 | 2.960(30.17) | 80 | Aguilarite | Ag4SeS |
| 4.860(18.24) | 200 | 6.938(12.75) | 180 | 5.488(16.14) | 170 | Liebenbergite | (Ni,Mg)2SiO4 |
| 4.860(18.24) | 200 | 2.856(31.29) | 160 | 4.100(21.66) | 160 | Magnesiotaaffeite-2N2S | Mg3Al8BeO16 |
| 4.860(18.24) | 200 | 2.860(31.25) | 100 | 5.200(17.04) | 100 | Magnesiohogbomite-2N2S | (Al,Fe++,Fe+++,Mg,Ti,Zn)11O15(OH) |
| 4.860(18.24) | 200 | 6.480(13.65) | 200 | 16.540(5.34) | 200 | Calclacite | Ca[Cl2/CH3COO]·10(H2O) |
| 4.860(18.24) | 200 | 4.480(19.80) | 100 | 3.676(24.19) | 60 | Palladodymite | (Pd,Rh)2As |
| 4.870(18.20) | 12 | 12.320(7.17) | 20 | 3.968(22.39) | 50 | Horomanite | Fe6Ni3S8 |
| 4.870(18.20) | 200 | 3.738(23.78) | 180 | 11.420(7.74) | 160 | Dayingite | CuCoPtS4 |
| 4.872(18.19) | 200 | 4.042(21.97) | 140 | 2.858(31.27) | 120 | Spinel | MgAl2O4 |
| 4.876(18.18) | 200 | 7.444(11.88) | 180 | 6.950(12.73) | 100 | Holtedahlite | Mg12(PO3OH,CO3)(PO4)5(OH,O)6 |
| 4.876(18.18) | 200 | 5.722(15.47) | 168 | 2.858(31.27) | 86 | Gahnite | ZnAl2O4 |
| 4.880(18.16) | 200 | 2.868(31.16) | 120 | 5.740(15.42) | 120 | Magnesiohogbomite-6N6S | (Mg,Fe++)1.4Ti0.3Al4O8 |
| 4.880(18.16) | 200 | 8.600(10.28) | 200 | 23.000(3.84) | 200 | Ilmajokite | (Na,Ce,La,Ba)2TiSi3O5(OH)10·n(H2O) (?) |
| 4.889(18.13) | 200 | 4.021(22.09) | 170 | 4.020(22.09) | 122 | Khmaralite | (Mg,Al,Fe)16(Al,Si,Be)12O40 |
| 4.890(18.13) | 200 | 9.640(9.17) | 200 | 19.200(4.60) | 200 | Asbolane | (Co,Ni)1-y(Mn++++O2)2-x(OH)2-2y+2x·n(H2O) |
| 4.894(18.11) | 200 | 2.868(31.16) | 116 | 4.056(21.90) | 116 | Ringwoodite | Mg2SiO4 |
| 4.896(18.10) | 200 | 5.904(14.99) | 200 | 8.740(10.11) | 140 | Purpurite | Mn+++PO4 |
| 4.900(18.09) | 200 | 9.440(9.36) | 180 | 3.652(24.35) | 120 | Pyrochroite | Mn(OH)2 |
| 4.900(18.09) | 200 | 3.940(22.55) | 120 | 4.500(19.71) | 120 | Ferrihydrite | Fe+++2O3·0.5(H2O) |
| 4.900(18.09) | 200 | 5.360(16.53) | 200 | 3.612(24.63) | 180 | Penroseite | (Ni,Co,Cu)Se2 |
| 4.900(18.09) | 200 | 5.940(14.90) | 180 | 9.800(9.02) | 180 | Adamite | Zn2(AsO4)(OH) |
| 4.900(18.09) | 200 | 4.080(21.76) | 140 | 2.880(31.03) | 120 | Wadsleyite | (Mg,Fe++)2SiO4 |
| 4.904(18.07) | 200 | 8.620(10.25) | 180 | 6.920(12.78) | 170 | Heterosite | Fe+++PO4 |
| 4.906(18.07) | 200 | 5.178(17.11) | 100 | 5.486(16.14) | 180 | Fluorvesuvianite | Ca19(Al,Mg)13[SiO4]10[Si2O7]4(F,OH)10 |
| 4.916(18.03) | 200 | 5.858(15.11) | 116 | 6.776(13.05) | 112 | Clinobarylite | BaBe2Si2O7 |
| 4.916(18.03) | 200 | 5.024(17.64) | 140 | 7.766(11.38) | 140 | Forsterite | Mg2SiO4 |
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