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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.
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 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 | 5.540(15.98) | 180 | 3.088(28.89) | 160 | Hausmannite | Mn++Mn+++2O4 |
| 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 |
| 4.982(17.79) | 200 | 6.902(12.82) | 180 | 9.732(9.08) | 160 | Khinite | PbCu++3Te++++++O6(OH)2 |
| 4.984(17.78) | 200 | 5.842(15.15) | 120 | 2.920(30.59) | 90 | Galaxite | (Mn,Mg)(Al,Fe+++)2O4 |
| 4.988(17.77) | 200 | 5.256(16.85) | 118 | 5.780(15.32) | 100 | Eucairite | CuAgSe |
| 5.000(17.72) | 200 | 4.140(21.45) | 160 | 5.860(15.11) | 120 | Coulsonite | Fe++V+++2O4 |
| 5.000(17.72) | 200 | 5.900(15.00) | 180 | 5.100(17.37) | 140 | Furutobeite | (Cu,Ag)6PbS4 |
| 5.002(17.72) | 200 | 9.040(9.78) | 170 | 28.400(3.11) | 160 | Sudoite | Mg2(Al,Fe+++)3Si3AlO10(OH)8 |
| 5.002(17.72) | 200 | 5.310(16.68) | 180 | 5.786(15.30) | 160 | Krinovite | NaMg2CrSi3O10 |
| 5.010(17.69) | 200 | 5.296(16.73) | 160 | 5.624(15.74) | 120 | Hibonite | (Ca,Ce)(Al,Ti,Mg)12O19 |
| 5.016(17.67) | 200 | 3.024(29.51) | 80 | 5.720(15.48) | 70 | Delafossite | Cu+Fe+++O2 |
| 5.020(17.65) | 200 | 6.520(13.57) | 200 | 5.620(15.76) | 120 | Terlinguaite | Hg+Hg++ClO |
| 5.020(17.65) | 200 | 12.000(7.36) | 110 | 5.180(17.10) | 90 | Rinneite | K3NaFe++Cl6 |
| 5.020(17.65) | 200 | 5.900(15.00) | 110 | 2.944(30.34) | 100 | Nichromite | (Ni,Co,Fe++)(Cr,Fe+++,Al)2O4 |
| 5.020(17.65) | 200 | 5.400(16.40) | 180 | 10.840(8.15) | 160 | Pinakiolite | Mg2Mn+++O2(BO3) |
| 5.020(17.65) | 200 | 5.300(16.71) | 180 | 5.140(17.24) | 160 | Pirssonite | Na2Ca(CO3)2·2(H2O) |
| 5.022(17.65) | 188 | 3.756(23.67) | 180 | 5.666(15.63) | 88 | Qusongite | WC |
| 5.024(17.64) | 200 | 2.944(30.34) | 90 | 5.894(15.02) | 70 | Cochromite | (Co,Ni,Fe++)(Cr,Al)2O4 |
| 5.026(17.63) | 200 | 6.842(12.93) | 140 | 11.840(7.46) | 120 | Weinebeneite | CaBe3(PO4)2(OH)2·5(H2O) |
| 5.026(17.63) | 200 | 2.952(30.25) | 80 | 3.210(27.77) | 60 | Trevorite | NiFe+++2O4 |
| 5.028(17.62) | 200 | 5.096(17.39) | 200 | 10.200(8.66) | 100 | Bonaccordite | Ni2Fe+++BO5 |
| 5.034(17.60) | 200 | 2.958(30.19) | 120 | 5.920(14.95) | 100 | Cuprospinel | (Cu,Mg)Fe+++2O4 |
| 5.036(17.60) | 200 | 8.126(10.88) | 160 | 5.966(14.84) | 120 | Terlinguacreekite | Hg++3O2Cl2 |
| 5.038(17.59) | 200 | 5.908(14.98) | 100 | 2.952(30.25) | 70 | Zincochromite | ZnCr2O4 |
| 5.040(17.58) | 200 | 5.340(16.59) | 200 | 5.960(14.85) | 200 | Hydrohalite | NaCl·2(H2O) |
| 5.040(17.58) | 200 | 4.640(19.11) | 192 | 5.060(17.51) | 98 | Tenorite | CuO |
| 5.040(17.58) | 200 | 2.920(30.59) | 180 | 3.200(27.86) | 180 | Chromite | Fe++Cr2O4 |
| 5.040(17.58) | 200 | 11.520(7.67) | 200 | 7.400(11.95) | 160 | Painite | CaZrB[Al9O18] |
| 5.040(17.58) | 200 | 5.920(14.95) | 200 | 5.740(15.42) | 160 | Natalyite | Na(V+++,Cr+++)Si2O6 |
| 5.040(17.58) | 80 | 6.820(12.97) | 80 | 19.940(4.43) | 80 | Montdorite | (K,Na)(Fe++,Mn++,Mg)2.5[Si4O10](F,OH)2 |
| 5.040(17.58) | 200 | 6.200(14.27) | 200 | 5.660(15.64) | 180 | Homilite | Ca2(Fe++,Mg)B2Si2O10 |
| 5.040(17.58) | 200 | 3.164(28.18) | 180 | 9.680(9.13) | 180 | Magnesiocoulsonite | MgV+++2O4 |
| 5.040(17.58) | 200 | 6.940(12.74) | 180 | 5.560(15.93) | 160 | Laihunite | Fe++Fe+++2(SiO4)2 |
| 5.042(17.58) | 200 | 7.800(11.33) | 170 | 5.356(16.54) | 100 | Brochantite | Cu4(SO4)(OH)6 |
| 5.044(17.57) | 200 | 2.994(29.82) | 108 | 5.346(16.57) | 88 | Rinmanite | (Zn,Mn)2Sb2Mg2Fe4O14(OH)2 |
| 5.044(17.57) | 200 | 8.780(10.07) | 180 | 6.406(13.81) | 160 | Paragonite | NaAl2(Si3Al)O10(OH)2 |
| 5.050(17.55) | 200 | 5.920(14.95) | 80 | 2.962(30.15) | 70 | Magnesioferrite | MgFe+++2O4 |
| 5.059(17.52) | 200 | 16.096(5.49) | 180 | 4.196(21.16) | 126 | Hogtuvaite | (Ca,Na)2(Fe++,Fe+++,Ti,Mg,Mn)6(Si,Be,Al)6O20 |
| 5.060(17.51) | 200 | 2.966(30.10) | 170 | 3.228(27.61) | 170 | Magnetite | Fe++Fe+++2O4 |
| 5.060(17.51) | 200 | 5.352(16.55) | 154 | 5.848(15.14) | 138 | Makarochkinite | Ca2Fe++4Fe+++TiSi4BeAlO20 |
| 5.060(17.51) | 200 | 5.820(15.21) | 200 | 7.460(11.85) | 160 | Thalcusite | TlCu3FeS4 |
| 5.060(17.51) | 200 | 5.120(17.31) | 160 | 5.800(15.26) | 160 | Serendibite | Ca2(Mg,Al)6(Si,Al,B)6O20 |
| 5.060(17.51) | 200 | 5.500(16.10) | 160 | 6.920(12.78) | 160 | Xanthiosite | Ni3(AsO4)2 |
| 5.060(17.51) | 200 | 5.820(15.21) | 140 | 14.648(6.03) | 140 | Welshite | Ca4Mg9Sb3O4[Si6Be3AlFe2O36] |
| 5.060(17.51) | 200 | 9.000(9.82) | 178 | 6.320(14.00) | 144 | Potassicleakeite | KNa2Mg2Fe+++2LiSi8O22(OH)2 |
| 5.060(17.51) | 200 | 14.580(6.06) | 200 | 7.220(12.25) | 160 | Antigorite | (Mg,Fe++)3Si2O5(OH)4 |
| 5.060(17.51) | 200 | 5.620(15.76) | 140 | 9.720(9.09) | 120 | Kuznetsovite | Hg3Cl(AsO4) |
| 5.060(17.51) | 200 | 6.320(14.00) | 200 | 6.600(13.40) | 200 | Odintsovite | K2Na4Ca3Ti2Be4Si12O38 |
| 5.060(17.51) | 200 | 2.972(30.04) | 120 | 3.234(27.56) | 100 | Qandilite | (Mg,Fe++)2(Ti,Fe+++,Al)O4 |
| 5.062(17.51) | 200 | 4.844(18.30) | 160 | 4.854(18.26) | 160 | Clinosafflorite | (Co,Fe,Ni)As2 |
| 5.063(17.50) | 200 | 5.783(15.31) | 140 | 8.278(10.68) | 100 | Abhurite | Sn3O(OH)2Cl2 |
| 5.064(17.50) | 200 | 4.002(22.19) | 108 | 5.236(16.92) | 100 | Aluminomagnesiohulsite | Mg2(Al,Mg,Sn)(BO3)O2 |
| 5.064(17.50) | 200 | 5.548(15.96) | 160 | 8.780(10.07) | 160 | Reederite-(Y) | Na15Y2(CO3)9(SO3F)Cl |
| 5.066(17.49) | 200 | 2.924(30.55) | 70 | 5.440(16.28) | 70 | Macaulayite | (Fe+++,Al)24Si4O43(OH)2 |
| 5.070(17.48) | 200 | 7.004(12.63) | 170 | 14.000(6.31) | 170 | Kellyite | (Mn++,Mg,Al)3(Si,Al)2O5(OH)4 |
| 5.072(17.47) | 200 | 5.428(16.32) | 174 | 6.722(13.16) | 142 | Fangite | Tl3AsS4 |
| 5.074(17.46) | 200 | 5.100(17.37) | 170 | 16.876(5.23) | 160 | IMA2008-048 | Zn6(PO4)4·7H2O |
| 5.080(17.44) | 200 | 7.020(12.60) | 180 | 8.580(10.30) | 180 | Triphylite | LiFe++PO4 |
| 5.080(17.44) | 200 | 5.632(15.72) | 200 | 7.056(12.53) | 200 | Junitoite | CaZn2Si2O7·(H2O) |
| 5.080(17.44) | 200 | 3.600(24.71) | 126 | 11.800(7.49) | 126 | Lawrencite | (Fe++,Ni)Cl2 |
| 5.080(17.44) | 200 | 5.300(16.71) | 170 | 7.780(11.36) | 96 | Radtkeite | Hg3S2ClI |
| 5.080(17.44) | 200 | 2.940(30.38) | 160 | 4.460(19.89) | 100 | Feroxyhyte | Fe+++O(OH) |
| 5.080(17.44) | 200 | 2.968(30.08) | 180 | 3.230(27.59) | 140 | Brunogeierite | (Ge++,Fe++)Fe+++2O4 |
| 5.080(17.44) | 200 | 9.340(9.46) | 180 | 10.420(8.48) | 160 | Nastrophite | Na(Sr,Ba)(PO4)·9(H2O) |
| 5.090(17.41) | 200 | 4.650(19.07) | 180 | 3.432(25.94) | 160 | Gersdorffite | NiAsS |
| 5.090(17.41) | 200 | 5.280(16.78) | 200 | 5.870(15.08) | 160 | Kullerudite | NiSe2 |
| 5.090(17.41) | 200 | 5.656(15.65) | 176 | 6.376(13.88) | 170 | Cobaltlotharmeyerite | Ca(Co,Fe,Ni)2(AsO4)2(OH,H2O)2 |
| 5.094(17.39) | 200 | 10.180(8.68) | 140 | 11.500(7.68) | 140 | Donharrisite | Ni8Hg3S9 |
| 5.094(17.39) | 200 | 2.972(30.04) | 180 | 8.912(9.92) | 180 | Saliotite | Na0.5Li0.5Al3AlSi3O10(OH)5 |
| 5.096(17.39) | 200 | 6.102(14.50) | 180 | 7.032(12.58) | 100 | Lithiophilite | LiMnPO4 |
| 5.098(17.38) | 200 | 10.180(8.68) | 180 | 11.780(7.50) | 180 | Dumortierite | Al6.5-7(BO3)(SiO4)3(O,OH)3 |
| 5.100(17.37) | 200 | 6.780(13.05) | 92 | 9.720(9.09) | 74 | Schwertmannite | Fe+++16O16(OH)12(SO4)2 |
| 5.100(17.37) | 200 | 5.480(16.16) | 180 | 5.600(15.81) | 160 | Langbanite | (Mn,Ca,Fe)++4(Mn+++,Fe+++)9Sb+++++Si2O24 |
| 5.100(17.37) | 200 | 8.320(10.62) | 200 | 24.600(3.59) | 200 | Stilpnomelane | K(Fe++,Mg,Fe+++)8(Si,Al)12(O,OH)27·n(H2O) |
| 5.100(17.37) | 200 | 3.260(27.33) | 140 | 3.000(29.76) | 120 | Manganochromite | (Mn,Fe++)(Cr,V)2O4 |
| 5.100(17.37) | 200 | 2.998(29.78) | 160 | 5.980(14.80) | 140 | Franklinite | (Zn,Mn++,Fe++)(Fe+++,Mn+++)2O4 |
| 5.100(17.37) | 200 | 5.220(16.97) | 200 | 9.040(9.78) | 200 | Beidellite | Na0.5Al2(Si3.5Al0.5)O10(OH)2·n(H2O) |
| 5.100(17.37) | 200 | 5.960(14.85) | 200 | 3.910(22.72) | 180 | Balkanite | Cu9Ag5HgS8 |
| 5.100(17.37) | 200 | 7.780(11.36) | 200 | 5.620(15.76) | 160 | Fiedlerite | Pb3Cl4F(OH)2 |
| 5.100(17.37) | 200 | 5.780(15.32) | 180 | 5.200(17.04) | 160 | Nierite | Si3N4 |
| 5.100(17.37) | 200 | 5.380(16.46) | 160 | 11.800(7.49) | 100 | Chlormanganokalite | K4MnCl6 |
| 5.100(17.37) | 200 | 6.160(14.37) | 200 | 6.960(12.71) | 180 | Prehnite | Ca2Al2Si3O10(OH)2 |
| 5.102(17.37) | 200 | 6.860(12.89) | 160 | 7.900(11.19) | 140 | Olenite | NaAl3Al6(BO3)3(Si6O18)(O,OH)4 |
| 5.104(17.36) | 200 | 4.952(17.90) | 180 | 5.686(15.57) | 130 | Rammelsbergite | NiAs2 |
| 5.104(17.36) | 200 | 3.354(26.55) | 120 | 3.446(25.83) | 100 | Nelenite | (Mn,Fe++)16Si12As+++3O36(OH)17 |
| 5.110(17.34) | 200 | 6.364(13.90) | 200 | 5.436(16.29) | 160 | Manganlotharmeyerite | Ca(Mn+++,Mg,)2(AsO4)2(OH,H2O)2 |
| 5.110(17.34) | 200 | 4.070(21.82) | 160 | 11.626(7.60) | 160 | Paracostibite | CoSbS |
| 5.112(17.33) | 200 | 4.020(22.09) | 120 | 5.646(15.68) | 100 | Suanite | Mg2B2O5 |
| 5.114(17.33) | 200 | 6.350(13.93) | 180 | 6.828(12.95) | 180 | Lotharmeyerite | CaZnMn+++(AsO3OH)4(OH)3 |
| 5.114(17.33) | 200 | 13.620(6.48) | 90 | 4.534(19.56) | 70 | Rorisite | (Ca,Mg)FCl |
| 5.118(17.31) | 200 | 8.100(10.91) | 180 | 24.400(3.62) | 160 | Philipsburgite | (Cu,Zn)6(AsO4,PO4)2(OH)6·(H2O) |
| 5.118(17.31) | 200 | 3.004(29.72) | 160 | 3.266(27.28) | 80 | Vuorelainenite | (Mn++,Fe++)(V+++,Cr+++)2O4 |
| 5.118(17.31) | 200 | 5.042(17.58) | 190 | 4.742(18.70) | 130 | Pararammelsbergite | NiAs2 |
| 5.120(17.31) | 200 | 14.320(6.17) | 140 | 5.776(15.33) | 120 | Mcgillite | (Mn,Fe++)8Si6O15(OH)8Cl2 |
| 5.120(17.31) | 200 | 5.320(16.65) | 200 | 4.460(19.89) | 120 | Naumannite | Ag2Se |