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 |
10.300(8.58) | 200 | 10.940(8.08) | 120 | 7.840(11.28) | 100 | Patronite | VS4 |
10.300(8.58) | 200 | 5.248(16.88) | 120 | 24.560(3.59) | 100 | Kingsmountite | (Ca,Mn++)4(Fe++,Mn++)Al4(PO4)6(OH)4·12(H2O) |
10.340(8.54) | 200 | 6.518(13.57) | 116 | 5.680(15.59) | 54 | Pararsenolamprite | As |
10.340(8.54) | 200 | 5.280(16.78) | 180 | 5.260(16.84) | 140 | Ikaite | CaCO3·6(H2O) |
10.360(8.53) | 200 | 24.000(3.68) | 120 | 5.814(15.23) | 100 | Zodacite | Ca4Mn++Fe+++4(PO4)6(OH)4·12(H2O) |
10.380(8.51) | 200 | 8.620(10.25) | 140 | 10.820(8.16) | 140 | Boralsilite | Al16B6Si2O27 |
10.440(8.46) | 200 | 7.080(12.49) | 160 | 8.760(10.09) | 100 | Metastudtite | UO4·2(H2O) |
10.440(8.46) | 200 | 5.910(14.98) | 160 | 16.120(5.48) | 120 | Haidingerite | Ca(AsO3OH)·(H2O) |
10.440(8.46) | 200 | 4.460(19.89) | 100 | 7.480(11.82) | 80 | Anyuiite | Au(Pb,Sb)2 |
10.460(8.45) | 200 | 10.860(8.13) | 160 | 9.960(8.87) | 150 | Werdingite | (Mg,Fe)2Al14B4Si4O37 |
10.460(8.45) | 200 | 6.040(14.65) | 68 | 3.634(24.48) | 62 | Calciohilairite | CaZrSi3O9·3(H2O) |
10.460(8.45) | 200 | 20.918(4.22) | 164 | 6.972(12.69) | 108 | Christelite | Zn3Cu2(SO4)2(OH)6·4(H2O) |
10.460(8.45) | 200 | 5.920(14.95) | 180 | 7.180(12.32) | 160 | Komkovite | BaZrSi3O9·3(H2O) |
10.480(8.43) | 200 | 17.680(4.99) | 120 | 6.502(13.61) | 80 | Ilinskite | NaCu5O2(SeO3)2Cl |
10.500(8.41) | 200 | 8.700(10.16) | 100 | 7.418(11.92) | 80 | Henmilite | Ca2Cu[B(OH)4]2(OH)4 |
10.540(8.38) | 200 | 11.980(7.37) | 190 | 5.800(15.26) | 140 | Nasinite | Na2B5O8(OH)·2(H2O) |
10.560(8.37) | 200 | 12.000(7.36) | 120 | 6.340(13.96) | 100 | Hilairite | Na2ZrSi3O9·3(H2O) |
10.580(8.35) | 200 | 17.880(4.94) | 160 | 6.554(13.50) | 80 | Ferrostrunzite | Fe++Fe+++2(PO4)2(OH)2·6(H2O) |
10.680(8.27) | 200 | 5.660(15.64) | 180 | 14.740(5.99) | 160 | Euchroite | Cu2(AsO4)(OH)·3(H2O) |
10.680(8.27) | 200 | 17.740(4.98) | 160 | 6.534(13.54) | 80 | Ferristrunzite | Fe+++Fe+++2(PO4)2(OH)3·5(H2O) |
10.740(8.23) | 200 | 6.520(13.57) | 160 | 6.788(13.03) | 160 | Narsarsukite | Na2(Ti,Fe+++)Si4(O,F)11 |
10.780(8.20) | 200 | 9.880(8.94) | 180 | 6.700(13.20) | 160 | Chalcomenite | CuSeO3·2(H2O) |
10.780(8.20) | 200 | 4.620(19.20) | 140 | 4.100(21.66) | 100 | Pinnoite | MgB2O4·3(H2O) |
10.800(8.18) | 200 | 3.820(23.27) | 180 | 6.240(14.18) | 100 | Sulvanite | Cu3VS4 |
10.800(8.18) | 200 | 4.320(20.54) | 100 | 9.520(9.28) | 80 | Vyalsovite | FeS·Ca(OH)2·Al(OH)3 |
10.800(8.18) | 200 | 6.380(13.87) | 180 | 5.460(16.22) | 160 | Realgar | AsS |
10.820(8.16) | 200 | 4.640(19.11) | 100 | 3.720(23.90) | 80 | Tochilinite | 6Fe0.9S·5(Mg,Fe++)(OH)2 |
10.860(8.13) | 200 | 6.600(13.40) | 160 | 11.060(7.99) | 100 | Ammonioleucite | (NH4,K)AlSi2O6 |
10.880(8.12) | 200 | 8.040(11.00) | 28 | 5.274(16.80) | 20 | Eriochalcite | CuCl2·2(H2O) |
10.880(8.12) | 200 | 4.540(19.54) | 160 | 5.480(16.16) | 120 | Paratacamite | (Cu,Zn)2(OH)3Cl |
10.926(8.09) | 200 | 5.510(16.07) | 138 | 4.514(19.65) | 78 | Gillardite | Cu3NiCl2(OH)6 |
10.940(8.08) | 200 | 3.450(25.80) | 170 | 3.550(25.06) | 156 | Rosenbergite | AlF3·3(H2O) |
10.940(8.08) | 200 | 5.484(16.15) | 140 | 5.534(16.00) | 120 | Clinoatacamite | Cu2(OH)3Cl |
10.960(8.06) | 200 | 17.040(5.18) | 140 | 7.680(11.51) | 120 | Coskrenite-(Ce) | (Ce,Nd,La)2(SO4)2(C2O4)·8(H2O) |
10.980(8.05) | 200 | 6.420(13.78) | 150 | 6.520(13.57) | 120 | Mirabilite | Na2SO4·10(H2O) |
10.992(8.04) | 200 | 22.040(4.01) | 180 | 8.158(10.84) | 100 | Niedermayrite | Cu4Cd(SO4)2(OH)6·4(H2O) |
11.000(8.03) | 200 | 17.520(5.04) | 200 | 14.620(6.04) | 180 | Swartzite | CaMg(UO2)(CO3)3·12(H2O) |
11.000(8.03) | 200 | 12.180(7.25) | 180 | 10.400(8.50) | 140 | Refikite | C19H31COOH |
11.004(8.03) | 200 | 16.398(5.38) | 200 | 5.766(15.35) | 160 | Bobkingite | Cu5Cl2(OH)8(H2O)2 |
11.040(8.00) | 200 | 5.668(15.62) | 15.840(5.57) | Caoxite | Ca(C2O4)·3(H2O) | ||
11.042(8.00) | 200 | 3.682(24.15) | 180 | 4.778(18.55) | 180 | Tarkianite | (Cu,Fe)(Re,Mo)4S8 |
11.060(7.99) | 200 | 5.524(16.03) | 140 | 8.456(10.45) | 120 | Rokuhnite | Fe++Cl2·(H2O) |
11.080(7.97) | 200 | 20.760(4.25) | 67 | 13.180(6.70) | 66 | Hartite | C20H34 |
11.080(7.97) | 200 | 5.540(15.98) | 180 | 9.060(9.75) | 180 | Andalusite | Al2SiO5 = Al[6]Al[5]OSiO4 |
11.100(7.96) | 200 | 15.480(5.70) | 180 | 13.760(6.42) | 160 | Roubaultite | Cu2(UO2)3(CO3)2O2(OH)2·4(H2O) |
11.106(7.95) | 200 | 5.516(16.05) | 104 | 5.570(15.90) | 104 | Belloite | Cu(OH)Cl |
11.180(7.90) | 200 | 5.848(15.14) | 80 | 10.980(8.05) | 80 | Nickelbischofite | NiCl2·6(H2O) |
11.180(7.90) | 200 | 5.080(17.44) | 160 | 6.160(14.37) | 160 | Bandylite | CuB(OH)4Cl |
11.180(7.90) | 200 | 6.840(12.93) | 144 | 7.124(12.41) | 132 | IMA2009-040 | (NH4)2Mg5Fe3+3Al(SO4)12·18H2O |
11.200(7.89) | 200 | 29.800(2.96) | 200 | 6.598(13.41) | 160 | Szymanskiite | Hg+16(Ni,Mg)6(H3O)8(CO3)12·3(H2O) |
11.230(7.87) | 200 | 5.184(17.09) | 180 | 7.102(12.45) | 160 | Tunisite | NaCa2Al4(CO3)4(OH)8Cl |
11.300(7.82) | 200 | 14.592(6.05) | 150 | 11.852(7.45) | 140 | Ceruleite | Cu2Al7(AsO4)4(OH)13·12(H2O) |
11.320(7.80) | 200 | 5.180(17.10) | 90 | 10.040(8.80) | 90 | Magnesiocarpholite | MgAl2Si2O6(OH)4 |
11.320(7.80) | 200 | 4.800(18.47) | 160 | 5.140(17.24) | 140 | Botallackite | Cu2Cl(OH)3 |
11.320(7.80) | 200 | 5.920(14.95) | 190 | 7.000(12.64) | 130 | Orpheite | PbAl3(PO4,SO4)2(OH)6 (?) |
11.338(7.79) | 200 | 5.654(15.66) | 188 | 7.134(12.40) | 180 | Kanonaite | (Mn+++,Al)AlSiO5 |
11.340(7.79) | 200 | 15.860(5.57) | 200 | 26.000(3.40) | 200 | Andersonite | Na2Ca(UO2)(CO3)3·6(H2O) |
11.360(7.78) | 200 | 3.150(28.31) | 120 | 5.520(16.04) | 120 | Yushkinite | V1-xS·n(Mg,Al)(OH)2 |
11.380(7.76) | 200 | 6.852(12.91) | 160 | 5.984(14.79) | 150 | Ahlfeldite | (Ni,Co)SeO3·2(H2O) |
11.400(7.75) | 200 | 7.080(12.49) | 182 | 5.720(15.48) | 156 | Acetamide | CO(CH3)(NH2) |
11.400(7.75) | 200 | 12.700(6.95) | 190 | 6.560(13.49) | 60 | Kladnoite | C6H4(CO)2NH |
11.400(7.75) | 200 | 6.770(13.07) | 32 | 3.380(26.35) | 28 | Dawsonite | NaAl(CO3)(OH)2 |
11.420(7.74) | 200 | 22.800(3.87) | 200 | 6.740(13.12) | 120 | Valleriite | 4(Fe,Cu)S·3(Mg,Al)(OH)2 |
11.440(7.72) | 200 | 14.560(6.07) | 180 | 6.488(13.64) | 120 | Faheyite | (Mn,Mg)Fe+++2Be2(PO4)4·6(H2O) |
11.460(7.71) | 200 | 4.928(17.99) | 162 | 5.460(16.22) | 78 | Kapellasite | Cu3Zn(OH)6Cl2 |
11.460(7.71) | 200 | 5.380(16.46) | 160 | 16.220(5.44) | 160 | Orschallite | Ca3(SO3)2SO4·12(H2O) |
11.460(7.71) | 200 | 10.160(8.70) | 140 | 5.240(16.91) | 100 | Carpholite | MnAl2Si2O6(OH)4 |
11.480(7.69) | 200 | 3.530(25.21) | 170 | 5.760(15.37) | 150 | Ralstonite | NaxMgxAl2-x(F,OH)6·(H2O) |
11.480(7.69) | 200 | 14.200(6.22) | 200 | 6.478(13.66) | 140 | Poughite | Fe+++2(TeO3)2(SO4)·3(H2O) |
11.490(7.69) | 200 | 5.744(15.41) | 34 | 3.830(23.20) | 18 | Haydeeite | Cu3Mg(OH)6Cl2 |
11.500(7.68) | 200 | 5.282(16.77) | 52 | 6.160(14.37) | 44 | Vanadiocarpholite | Mn++V+++Al(Si2O6)(OH)4 |
11.500(7.68) | 200 | 12.600(7.01) | 100 | 8.720(10.14) | 80 | Widgiemoolthalite | (Ni,Mg)5(CO3)4(OH)2·4-5(H2O) |
11.520(7.67) | 200 | 6.160(14.37) | 160 | 16.180(5.46) | 160 | Grimselite | K3Na(UO2)(CO3)3·(H2O) |
11.520(7.67) | 200 | 5.830(15.18) | 70 | 6.890(12.84) | 50 | Tolbachite | CuCl2 |
11.534(7.66) | 200 | 3.762(23.63) | 96 | 6.302(14.04) | 70 | Catamarcaite | Cu6GeWS8 |
11.540(7.65) | 200 | 13.360(6.61) | 170 | 6.640(13.32) | 100 | Hydroboracite | CaMgB6O8(OH)6·3(H2O) |
11.580(7.63) | 200 | 5.798(15.27) | 164 | 18.400(4.80) | 78 | Hydromagnesite | Mg5(CO3)4(OH)2·4(H2O) |
11.590(7.62) | 200 | 6.996(12.64) | 180 | 7.762(11.39) | 96 | Bobjonesite | VO(SO4)(H2O)3 |
11.600(7.61) | 200 | 10.480(8.43) | 180 | 15.240(5.79) | 180 | Indigirite | Mg2Al2(CO3)4(OH)2·15(H2O) |
11.622(7.60) | 200 | 18.636(4.74) | 178 | 11.358(7.78) | 86 | Hellyerite | NiCO3·6(H2O) |
11.622(7.60) | 200 | 10.064(8.78) | 146 | 5.032(17.61) | 138 | Panichiite | (NH4)2SnCl6 |
11.648(7.58) | 200 | 11.732(7.53) | 160 | 6.326(13.99) | 30 | Hydromolysite | FeCl3·6(H2O) |
11.680(7.56) | 200 | 5.440(16.28) | 144 | 9.960(8.87) | 122 | Jokokuite | MnSO4·5(H2O) |
11.680(7.56) | 200 | 8.280(10.68) | 140 | 7.980(11.08) | 120 | Anthonyite | Cu(OH,Cl)2·3(H2O) |
11.686(7.56) | 200 | 19.408(4.55) | 200 | 6.278(14.10) | 180 | Dickthomssenite | Mg(V+++++2O6)·7(H2O) |
11.700(7.55) | 200 | 5.180(17.10) | 160 | 6.320(14.00) | 50 | Scacchite | MnCl2 |
11.700(7.55) | 200 | 6.060(14.61) | 190 | 4.552(19.48) | 90 | Beaverite | PbCu++(Fe+++,Al)2(SO4)2(OH)6 |
11.740(7.52) | 200 | 4.742(18.70) | 100 | 3.892(22.83) | 90 | Leonite | K2Mg(SO4)2·4(H2O) |
11.760(7.51) | 200 | 6.120(14.46) | 180 | 4.500(19.71) | 120 | Benauite | HSrFe+++3(PO4)2(OH)6 |
11.760(7.51) | 200 | 5.888(15.03) | 156 | 6.160(14.37) | 124 | Elsmoreite | WO3·0.5(H2O) |
11.780(7.50) | 200 | 7.320(12.08) | 180 | 5.852(15.13) | 160 | Clinochalcomenite | CuSeO3·2(H2O) |
11.780(7.50) | 200 | 5.880(15.05) | 100 | 5.140(17.24) | 20 | Chloromagnesite | MgCl2 |
11.780(7.50) | 200 | 16.020(5.51) | 200 | 6.280(14.09) | 180 | Dewindtite | Pb3[H(UO2)3O2(PO4)2]2·12(H2O) |
11.794(7.49) | 200 | 25.540(3.46) | 180 | 5.742(15.42) | 160 | Mourite | U++++Mo++++++5O12(OH)10 |
11.800(7.49) | 200 | 15.900(5.55) | 162 | 7.882(11.22) | 142 | Deliensite | Fe++(UO2)2(SO4)2(OH)2·3(H2O) |
11.820(7.47) | 200 | 19.000(4.65) | 180 | 6.320(14.00) | 140 | Zanazziite | Ca2(Mg,Fe++)(Mg,Fe++,Al,Mn,Fe+++)4Be4(PO4)6(OH)4·6(H2O) |
11.831(7.47) | 200 | 15.721(5.62) | 174 | 8.744(10.11) | 172 | Kochsandorite | CaAl2(CO3)2(OH)4·H2O |
11.840(7.46) | 200 | 5.568(15.90) | 172 | 6.340(13.96) | 106 | Atencioite | Ca2Fe++[ ]Mg2Fe++2Be4(PO4)6(OH)4·6H2O |
11.840(7.46) | 200 | 6.800(13.01) | 160 | 5.920(14.95) | 120 | Studtite | [(UO2)O2(H2O)2](H2O)2 |
11.852(7.45) | 200 | 13.546(6.52) | 126 | 10.068(8.78) | 116 | Metarossite | CaV2O6·2(H2O) |
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