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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 |
| 4.798(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 | 8.940(9.89) | 200 | 6.264(14.13) | 60 | Reichenbachite | Cu++5(PO4)2(OH)4 |
| 4.820(18.39) | 200 | 3.074(29.02) | 120 | 4.600(19.28) | 100 | Maldonite | Au2Bi |
| 4.840(18.31) | 200 | 5.420(16.34) | 200 | 5.700(15.53) | 160 | Crednerite | CuMnO2 |
| 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 | 5.700(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 | 5.712(15.50) | 160 | 2.852(31.34) | 100 | Ferrotaaffeite-6N3S | (Fe++,Zn,Mg)2Al6BeO12 |
| 4.844(18.30) | 200 | 8.900(9.93) | 164 | 5.146(17.22) | 130 | Hydroxylborite | Mg3(BO3)(OH,F)3 |
| 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 |
| 4.846(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 | 4.492(19.75) | 180 | 2.742(32.63) | 160 | Atheneite | (Pd,Hg)3As |
| 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 | 4.480(19.80) | 100 | 3.676(24.19) | 60 | Palladodymite | (Pd,Rh)2As |
| 4.860(18.24) | 200 | 5.760(15.37) | 100 | 2.960(30.17) | 80 | Aguilarite | Ag4SeS |
| 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 | 6.938(12.75) | 180 | 5.488(16.14) | 170 | Liebenbergite | (Ni,Mg)2SiO4 |
| 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 | 2.852(31.34) | 160 | 2.872(31.11) | 120 | Magnesiohogbomite-2N3S | (Mg,Fe++)1.4Ti0.3Al4O8 |
| 4.860(18.24) | 200 | 2.856(31.29) | 160 | 4.100(21.66) | 160 | Magnesiotaaffeite-2N2S | Mg3Al8BeO16 |
| 4.870(18.20) | 200 | 3.738(23.78) | 180 | 11.420(7.74) | 160 | Dayingite | CuCoPtS4 |
| 4.870(18.20) | 12 | 12.320(7.17) | 20 | 3.968(22.39) | 50 | Horomanite | Fe6Ni3S8 |
| 4.872(18.19) | 200 | 4.042(21.97) | 140 | 2.858(31.27) | 120 | Spinel | MgAl2O4 |
| 4.876(18.18) | 200 | 5.722(15.47) | 168 | 2.858(31.27) | 86 | Gahnite | ZnAl2O4 |
| 4.876(18.18) | 200 | 7.444(11.88) | 180 | 6.950(12.73) | 100 | Holtedahlite | Mg12(PO3OH,CO3)(PO4)5(OH,O)6 |
| 4.880(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 | 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 | 4.080(21.76) | 140 | 2.880(31.03) | 120 | Wadsleyite | (Mg,Fe++)2SiO4 |
| 4.900(18.09) | 200 | 9.440(9.36) | 180 | 3.652(24.35) | 120 | Pyrochroite | Mn(OH)2 |
| 4.900(18.09) | 200 | 5.940(14.90) | 180 | 9.800(9.02) | 180 | Adamite | Zn2(AsO4)(OH) |
| 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 |
| 4.919(18.02) | 200 | 2.883(30.99) | 84 | 3.138(28.42) | 72 | Hercynite | Fe++Al2O4 |
| 4.920(18.01) | 200 | 5.240(16.91) | 200 | 5.900(15.00) | 200 | Gaudefroyite | Ca4Mn+++3-x(BO3)3(CO3)(O,OH)3 |
| 4.924(18.00) | 200 | 5.414(16.36) | 180 | 6.080(14.56) | 160 | Hetaerolite | ZnMn+++2O4 |
| 4.930(17.98) | 200 | 4.270(20.79) | 74 | 3.020(29.55) | 54 | Cuprite | Cu2O |
| 4.940(17.94) | 200 | 5.320(16.65) | 160 | 6.040(14.65) | 140 | Hydrohetaerolite | Zn2Mn+++4O8·(H2O) |
| 4.940(17.94) | 200 | 3.292(27.06) | 90 | 5.700(15.53) | 80 | Mcconnellite | CuCrO2 |
| 4.944(17.93) | 200 | 4.520(19.62) | 180 | 4.044(21.96) | 120 | Oulankaite | (Pd,Pt)5(Cu,Fe)4SnTe2S2 |
| 4.946(17.92) | 200 | 5.680(15.59) | 160 | 7.040(12.56) | 140 | Satterlyite | (Fe++,Mg)2(PO4)(OH) |
| 4.952(17.90) | 200 | 5.632(15.72) | 142 | 5.204(17.02) | 112 | Zincite | (Zn,Mn)O |
| 4.954(17.89) | 200 | 5.252(16.87) | 200 | 4.858(18.25) | 160 | Menshikovite | Pd3Ni2As3 |
| 4.960(17.87) | 200 | 8.040(11.00) | 200 | 5.520(16.04) | 180 | Chkalovite | Na2BeSi2O6 |
| 4.960(17.87) | 200 | 8.600(10.28) | 180 | 5.860(15.11) | 160 | Simferite | Li(Mg,Fe+++,Mn+++)2(PO4)2 |
| 4.960(17.87) | 200 | 5.380(16.46) | 200 | 16.000(5.52) | 160 | Northupite | Na3Mg(CO3)2Cl |
| 4.978(17.80) | 200 | 5.124(17.29) | 200 | 9.440(9.36) | 200 | Cornubite | Cu5(AsO4)2(OH)4 |
| 4.980(17.80) | 200 | 6.672(13.26) | 200 | 9.600(9.20) | 160 | Parakhinite | Cu++3PbTe++++++O4(OH)6 |
| 4.980(17.80) | 200 | 2.932(30.46) | 140 | 3.186(27.98) | 120 | Magnesiochromite | MgCr2O4 |
| 4.980(17.80) | 200 | 5.540(15.98) | 180 | 3.088(28.89) | 160 | Hausmannite | Mn++Mn+++2O4 |
| 4.982(17.79) | 200 | 6.902(12.82) | 180 | 9.732(9.08) | 160 | Khinite | PbCu++3Te++++++O6(OH)2 |
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