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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 |
| 7.680(11.51) | 200 | 5.020(17.65) | 118 | 5.540(15.98) | 92 | Chopinite | (Mg,Fe)3(PO4)2 |
| 7.680(11.51) | 200 | 6.520(13.57) | 180 | 6.820(12.97) | 180 | Mercallite | KHSO4 |
| 7.680(11.51) | 200 | 10.680(8.27) | 90 | 12.720(6.94) | 90 | Krauskopfite | BaSi2O4(OH)2·2(H2O) |
| 7.680(11.51) | 200 | 3.440(25.88) | 180 | 3.140(28.40) | 160 | Vismirnovite | ZnSn++++(OH)6 |
| 7.680(11.51) | 200 | 7.440(11.89) | 200 | 6.820(12.97) | 80 | Liberite | Li2BeSiO4 |
| 7.684(11.51) | 200 | 6.406(13.81) | 168 | 18.880(4.68) | 160 | Agrellite | NaCa2Si4O10F |
| 7.692(11.49) | 200 | 6.384(13.86) | 180 | 7.022(12.60) | 180 | Cordylite-(Ce) | Ba(Ce,La)2(CO3)3F2 |
| 7.694(11.49) | 200 | 6.160(14.37) | 180 | 6.536(13.54) | 160 | Weibullite | Pb6Bi8(S,Se)18 |
| 7.700(11.48) | 200 | 15.440(5.72) | 200 | 16.820(5.25) | 160 | Arsenuranylite | Ca(UO2)4(AsO4)2(OH)4·6(H2O) |
| 7.700(11.48) | 200 | 8.320(10.62) | 200 | 11.600(7.61) | 160 | Lansfordite | MgCO3·5(H2O) |
| 7.700(11.48) | 200 | 6.420(13.78) | 120 | 6.880(12.86) | 80 | Sulfur | S8 |
| 7.700(11.48) | 200 | 7.500(11.79) | 196 | 22.400(3.94) | 168 | Mutinaite | Na3Ca4Si85Al11O192·60(H2O) |
| 7.704(11.48) | 200 | 10.072(8.77) | 200 | 18.240(4.84) | 200 | Sieleckiite | Cu3Al4(PO4)2(OH)12·2(H2O) |
| 7.740(11.42) | 200 | 6.440(13.74) | 140 | 5.920(14.95) | 80 | Fuloppite | Pb3Sb8S15 |
| 7.740(11.42) | 200 | 15.260(5.79) | 200 | 5.800(15.26) | 140 | Bismutoferrite | BiFe+++2(SiO4)2(OH) |
| 7.758(11.40) | 200 | 5.242(16.90) | 126 | 29.766(2.97) | 92 | Kampfite | Ba12(Si11Al5)O31(CO3)8Cl5 |
| 7.760(11.39) | 200 | 8.960(9.86) | 100 | 5.480(16.16) | 50 | Schoenfliesite | MgSn++++(OH)6 |
| 7.760(11.39) | 200 | 5.590(15.84) | 188 | 5.272(16.80) | 138 | Tivanite | V+++TiO3(OH) |
| 7.760(11.39) | 200 | 6.660(13.28) | 160 | 5.380(16.46) | 120 | Shakhovite | Hg+4Sb+++++O3(OH)3 |
| 7.760(11.39) | 200 | 5.480(16.16) | 100 | 3.458(25.74) | 70 | Mushistonite | (Cu,Zn,Fe)Sn++++(OH)6 |
| 7.760(11.39) | 200 | 5.000(17.72) | 60 | 4.660(19.03) | 36 | Moolooite | Cu++(C2O4)·n(H2O) (n < 1) |
| 7.760(11.39) | 200 | 5.400(16.40) | 160 | 5.576(15.88) | 60 | Hectorfloresite | Na9(IO3)(SO4)4 |
| 7.760(11.39) | 200 | 11.660(7.58) | 200 | 23.200(3.81) | 200 | Kolovratite | Hydrous vanadate of Ni and Zn |
| 7.780(11.36) | 200 | 5.880(15.05) | 196 | 5.180(17.10) | 196 | IMA2009-021 | Li4(Na,Ca)12(Y,Ca,REE)6Zr6(PO4)12(CO3)4O4[(OH),F]4 |
| 7.784(11.36) | 200 | 5.640(15.70) | 180 | 5.370(16.49) | 160 | Fencooperite | Ba6Fe+++3Si8O23(CO3)2Cl3·H2O |
| 7.800(11.33) | 200 | 8.720(10.14) | 100 | 10.440(8.46) | 40 | Lovozerite | H4Na2Ca(Zr,Ti)[Si6O18] |
| 7.800(11.33) | 200 | 5.680(15.59) | 140 | 4.138(21.46) | 120 | Iridarsenite | (Ir,Ru)As2 |
| 7.800(11.33) | 200 | 7.680(11.51) | 142 | 11.800(7.49) | 72 | Abramovite | Pb2SnInBiS7 |
| 7.834(11.29) | 200 | 5.918(14.96) | 180 | 17.690(4.99) | 160 | Heulandite-K | (K,Na,Ca)2-3Al3(Al,Si)2Si13O36·12(H2O) |
| 7.834(11.29) | 200 | 5.918(14.96) | 180 | 17.690(4.99) | 160 | Heulandite-Sr | (Sr,Na,Ca)2-3Al3(Al,Si)2Si13O36·12(H2O) |
| 7.834(11.29) | 200 | 5.918(14.96) | 180 | 17.690(4.99) | 160 | Heulandite-Na | (Na,Ca)2-3Al3(Al,Si)2Si13O36·12(H2O) |
| 7.834(11.29) | 200 | 5.918(14.96) | 180 | 17.690(4.99) | 160 | Heulandite-Ca | (Ca,Na)2-3Al3(Al,Si)2Si13O36·12(H2O) |
| 7.840(11.28) | 200 | 5.900(15.00) | 120 | 6.080(14.56) | 120 | Innelite | (Na,Mg,Ca)2(Ba,K)4Ti3(Si2O7)2(SO4)2(OH,F) |
| 7.854(11.26) | 200 | 27.340(3.23) | 100 | 6.046(14.64) | 82 | Fuenzalidaite | K6(Na,K)4Na6Mg10(SO4)12(IO3)12·12(H2O) |
| 7.860(11.25) | 200 | 4.136(21.47) | 60 | 8.120(10.89) | 60 | Levyclaudite | Pb8Sn7Cu3(Bi,Sb)3S28 |
| 7.862(11.25) | 200 | 3.524(25.25) | 140 | 5.556(15.94) | 120 | Wickmanite | Mn++Sn++++(OH)6 |
| 7.868(11.24) | 200 | 13.794(6.40) | 160 | 6.696(13.21) | 140 | Steverustite | Pb++5(OH)5[Cu+(SO3S--)3](H2O)1.67 |
| 7.880(11.22) | 200 | 5.540(15.98) | 180 | 3.520(25.28) | 100 | Tetrawickmanite | Mn++Sn++++(OH)6 |
| 7.894(11.20) | 200 | 6.664(13.28) | 120 | 6.170(14.34) | 116 | Kamarizaite | Fe+++3(AsO4)2(OH)3·3H2O |
| 7.900(11.19) | 200 | 14.220(6.21) | 200 | 3.828(23.22) | 180 | Paratsepinite-Ba | (Ba,Na,K)2-x(Ti,Nb)2(Si4O12)(OH,O)2·4(H2O) |
| 7.900(11.19) | 200 | 3.942(22.54) | 180 | 5.580(15.87) | 140 | Pachnolite | NaCaAlF6·(H2O) |
| 7.900(11.19) | 200 | 5.104(17.36) | 186 | 3.796(23.42) | 144 | Rossmanite | [ ]LiAl2Al6(Si6O18)(BO3)3(OH)4 |
| 7.900(11.19) | 200 | 6.060(14.61) | 180 | 3.948(22.50) | 120 | Sosedkoite | (K,Na)5Al2(Ta,Nb)22O60 |
| 7.900(11.19) | 200 | 5.476(16.17) | 140 | 5.940(14.90) | 140 | Verplanckite | Ba2(Mn++,Ti,Fe++)2Si2O6(O,OH,Cl,F)2·3(H2O) |
| 7.920(11.16) | 200 | 15.600(5.66) | 180 | 9.140(9.67) | 120 | Hauckite | (Mg,Mn++)24Zn18Fe+++3(SO4)4(CO3)2(OH)81 (?) |
| 7.920(11.16) | 200 | 3.556(25.02) | 180 | 5.600(15.81) | 180 | Dzhalindite | In(OH)3 |
| 7.920(11.16) | 200 | 5.960(14.85) | 126 | 15.660(5.64) | 40 | Apophyllite-(NaF) | NaCa4Si8O20F·8(H2O) |
| 7.924(11.16) | 200 | 6.480(13.65) | 150 | 8.034(11.00) | 150 | Bariopharmacosiderite | BaFe+++4(AsO4)3(OH)5·5(H2O) |
| 7.926(11.15) | 200 | 6.536(13.54) | 186 | 10.488(8.42) | 166 | Fabianite | CaB3O5(OH) |
| 7.926(11.15) | 200 | 5.826(15.20) | 180 | 8.358(10.58) | 160 | Parakeldyshite | Na2ZrSi2O7 |
| 7.930(11.15) | 200 | 5.942(14.90) | 80 | 10.900(8.10) | 40 | Platynite | (Bi,Pb)3(Se,S)4 |
| 7.930(11.15) | 200 | 5.980(14.80) | 134 | 3.176(28.07) | 52 | Apophyllite-(KOH) | KCa4Si8O20(OH,F)·8(H2O) |
| 7.942(11.13) | 200 | 17.980(4.91) | 170 | 7.820(11.31) | 140 | Clinoptilolite-Na | (Na,K,Ca)2-3Al3(Al,Si)2Si13O36·12(H2O) |
| 7.942(11.13) | 200 | 17.980(4.91) | 170 | 7.820(11.31) | 140 | Clinoptilolite-Ca | (Ca,Na,K)2-3Al3(Al,Si)2Si13O36·12(H2O) |
| 7.948(11.12) | 200 | 5.200(17.04) | 144 | 4.368(20.31) | 98 | Roweite | Ca2Mn++2B4O7(OH)6 |
| 7.956(11.11) | 200 | 5.164(17.16) | 180 | 8.468(10.44) | 180 | Hydroxyuvite | CaMg3(Al5Mg)(Si6O18)(BO3)3(OH)3(OH) |
| 7.960(11.11) | 200 | 6.080(14.56) | 60 | 7.220(12.25) | 40 | Urea | CO(NH2)2 |
| 7.960(11.11) | 200 | 3.666(24.26) | 180 | 5.840(15.16) | 160 | Zharchikhite | AlF(OH)2 |
| 7.980(11.08) | 200 | 4.520(19.62) | 140 | 7.120(12.42) | 140 | Naujakasite | Na6(Fe++,Mn)Al4Si8O26 |
| 7.980(11.08) | 200 | 4.634(19.14) | 112 | 4.262(20.82) | 104 | Diaspore | AlO(OH) |
| 7.980(11.08) | 200 | 6.500(13.61) | 160 | 6.760(13.09) | 140 | Scotlandite | PbSO3 |
| 7.980(11.08) | 200 | 8.360(10.57) | 160 | 5.940(14.90) | 104 | Keldyshite | Na2-xHxZrSi2O7·n(H2O) |
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