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.
[ 1 ] [ 2 ] [ 3 ] [ 4 ] [ 5 ] [ 6 ] [ 7 ] [ 8 ] [ 9 ] [ 10 ] [ 11 ] [ 12 ] [ 13 ] [ 14 ] [ 15 ] [ 16 ] [ 17 ] [ 18 ] [ 19 ] [ 20 ] [ 21 ] [ 22 ] [ 23 ] [ 24 ] [ 25 ] [ 26 ] [ 27 ] [ 28 ] [ 29 ] [ 30 ] [ 31 ] [ 32 ] [ 33 ] [ 34 ] [ 35 ] [ 36 ] [ 37 ] [ 38 ] [ 39 ] [ 40 ] [ 41 ] [ 42 ] [ 43 ] [ 44 ] [ 45 ]
D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
7.520(11.76) | 200 | 11.320(7.80) | 200 | 28.600(3.09) | 200 | Faujasite-Na | (Na2,Ca,Mg)3.5[Al7Si17O48]·32(H2O) |
7.534(11.74) | 200 | 5.310(16.68) | 160 | 3.374(26.39) | 140 | Stottite | Fe++Ge(OH)6 |
7.538(11.73) | 200 | 7.696(11.49) | 200 | 7.312(12.09) | 172 | Krasnogorite | WO3 |
7.538(11.73) | 200 | 5.280(16.78) | 130 | 6.132(14.43) | 102 | Sanromanite | Na2CaPb3(CO3)5 |
7.540(11.73) | 200 | 5.560(15.93) | 180 | 6.740(13.12) | 100 | Pabstite | Ba(Sn,Ti)Si3O9 |
7.540(11.73) | 200 | 5.800(15.26) | 180 | 5.860(15.11) | 160 | Kapitsaite-(Y) | (Ba,K,Pb,Na)4(Y,Ca,REE)2[Si8B2(B,Si)2O28F] |
7.540(11.73) | 200 | 6.780(13.05) | 140 | 6.040(14.65) | 120 | Chalcosiderite | CuFe+++6(PO4)4(OH)8·4(H2O) |
7.546(11.72) | 200 | 4.226(21.00) | 186 | 7.692(11.49) | 80 | Steropesite | Tl3BiCl6 |
7.560(11.70) | 200 | 7.460(11.85) | 112 | 6.066(14.59) | 110 | Niter | KNO3 |
7.568(11.68) | 200 | 3.384(26.31) | 34 | 4.786(18.52) | 32 | Bernalite | Fe(OH)3 |
7.570(11.68) | 200 | 15.260(5.79) | 200 | 3.650(24.37) | 40 | Quintinite-2H | Mg4Al2(OH)12CO3·4(H2O) |
7.580(11.66) | 200 | 20.320(4.34) | 130 | 23.880(3.70) | 80 | Terranovaite | (Na,Ca)8(Si68Al12)O160·29(H2O) |
7.594(11.64) | 200 | 7.276(12.15) | 94 | 5.550(15.96) | 70 | Santarosaite | CuB2O4 |
7.600(11.63) | 200 | 18.040(4.89) | 200 | 6.520(13.57) | 180 | Uramphite | (NH4)(UO2)(PO4)·3(H2O) |
7.600(11.63) | 200 | 13.160(6.71) | 160 | 4.420(20.07) | 140 | Bellbergite | (K,Ba,Sr)2Sr2Ca2(Ca,Na)4Al18Si18O72·30(H2O) |
7.600(11.63) | 200 | 4.680(18.95) | 80 | 5.900(15.00) | 80 | Mozgovaite | PbBi4(S,Se)7 |
7.602(11.63) | 200 | 5.534(16.00) | 86 | 5.464(16.21) | 82 | Edenharterite | TlPbAs3S6 |
7.616(11.61) | 200 | 5.392(16.43) | 140 | 3.814(23.30) | 60 | Kimrobinsonite | Ta(OH)3(O,CO3) |
7.616(11.61) | 200 | 9.188(9.62) | 150 | 7.804(11.33) | 120 | Lokkaite-(Y) | CaY4(CO3)7·9(H2O) |
7.620(11.60) | 200 | 13.040(6.77) | 192 | 6.762(13.08) | 144 | Buddingtonite | (NH4)AlSi3O8·0.5(H2O) |
7.620(11.60) | 200 | 6.060(14.61) | 180 | 6.840(12.93) | 160 | Veenite | Pb2(Sb,As)2S5 |
7.622(11.60) | 200 | 5.716(15.49) | 150 | 5.490(16.13) | 100 | Nezilovite | PbZn2(Mn++++,Ti++++)2Fe+++8O19 |
7.640(11.57) | 200 | 6.260(14.14) | 180 | 9.060(9.75) | 160 | Hambergite | Be2BO3(OH) |
7.640(11.57) | 200 | 5.360(16.53) | 120 | 6.020(14.70) | 120 | Cannizzarite | Pb4Bi6S13 |
7.654(11.55) | 200 | 6.324(13.99) | 180 | 8.920(9.91) | 180 | Schuilingite-(Nd) | PbCu(Nd,Gd,Sm,Y)(CO3)3(OH)·1.5(H2O) |
7.660(11.54) | 200 | 5.590(15.84) | 170 | 6.690(13.22) | 120 | Shibkovite | K(Ca,Mn,Na)2(K2-x,[ ]x)2ZnSi12O30 (x~0.8) |
7.660(11.54) | 200 | 5.420(16.34) | 140 | 3.420(26.03) | 120 | Jeanbandyite | (Fe+++,Mn++)Sn++++(OH)6 |
7.660(11.54) | 200 | 8.860(9.98) | 200 | 5.420(16.34) | 190 | Pseudoboleite | Pb5Cu4Cl10(OH)8·2(H2O) |
7.668(11.53) | 200 | 5.980(14.80) | 180 | 8.178(10.81) | 180 | Senegalite | Al2(PO4)(OH)3·(H2O) |
7.680(11.51) | 200 | 7.440(11.89) | 200 | 6.820(12.97) | 80 | Liberite | Li2BeSiO4 |
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 | 10.680(8.27) | 90 | 12.720(6.94) | 90 | Krauskopfite | BaSi2O4(OH)2·2(H2O) |
7.680(11.51) | 200 | 6.520(13.57) | 180 | 6.820(12.97) | 180 | Mercallite | KHSO4 |
7.680(11.51) | 200 | 3.440(25.88) | 180 | 3.140(28.40) | 160 | Vismirnovite | ZnSn++++(OH)6 |
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 | 7.500(11.79) | 196 | 22.400(3.94) | 168 | Mutinaite | Na3Ca4Si85Al11O192·60(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 |
7.704(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 | 15.260(5.79) | 200 | 5.800(15.26) | 140 | Bismutoferrite | BiFe+++2(SiO4)2(OH) |
7.740(11.42) | 200 | 6.440(13.74) | 140 | 5.920(14.95) | 80 | Fuloppite | Pb3Sb8S15 |
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 | 5.000(17.72) | 60 | 4.660(19.03) | 36 | Moolooite | Cu++(C2O4)·n(H2O) (n < 1) |
7.760(11.39) | 200 | 5.590(15.84) | 188 | 5.272(16.80) | 138 | Tivanite | V+++TiO3(OH) |
7.760(11.39) | 200 | 8.960(9.86) | 100 | 5.480(16.16) | 50 | Schoenfliesite | MgSn++++(OH)6 |
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 | 5.400(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 | 7.680(11.51) | 142 | 11.800(7.49) | 72 | Abramovite | Pb2SnInBiS7 |
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 |
7.834(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) |
7.834(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) |
7.840(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 | 6.060(14.61) | 180 | 3.948(22.50) | 120 | Sosedkoite | (K,Na)5Al2(Ta,Nb)22O60 |
7.900(11.19) | 200 | 3.942(22.54) | 180 | 5.580(15.87) | 140 | Pachnolite | NaCaAlF6·(H2O) |
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) |
7.900(11.19) | 200 | 5.104(17.36) | 186 | 3.796(23.42) | 144 | Rossmanite | [ ]LiAl2Al6(Si6O18)(BO3)3(OH)4 |
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) |
7.920(11.16) | 200 | 15.600(5.66) | 180 | 9.140(9.67) | 120 | Hauckite | (Mg,Mn++)24Zn18Fe+++3(SO4)4(CO3)2(OH)81 (?) |
7.924(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 | 5.826(15.20) | 180 | 8.358(10.58) | 160 | Parakeldyshite | Na2ZrSi2O7 |
7.926(11.15) | 200 | 6.536(13.54) | 186 | 10.488(8.42) | 166 | Fabianite | CaB3O5(OH) |
7.930(11.15) | 200 | 5.980(14.80) | 134 | 3.176(28.07) | 52 | Apophyllite-(KOH) | KCa4Si8O20(OH,F)·8(H2O) |
7.930(11.15) | 200 | 5.942(14.90) | 80 | 10.900(8.10) | 40 | Platynite | (Bi,Pb)3(Se,S)4 |
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) |
7.942(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) |
7.948(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 | 3.666(24.26) | 180 | 5.840(15.16) | 160 | Zharchikhite | AlF(OH)2 |
7.960(11.11) | 200 | 6.080(14.56) | 60 | 7.220(12.25) | 40 | Urea | CO(NH2)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 | 8.360(10.57) | 160 | 5.940(14.90) | 104 | Keldyshite | Na2-xHxZrSi2O7·n(H2O) |
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 |
8.000(11.05) | 200 | 5.288(16.75) | 160 | 6.400(13.83) | 160 | Reinerite | Zn3(As+++O3)2 |
8.000(11.05) | 200 | 6.516(13.58) | 150 | 6.376(13.88) | 150 | Orlandiite | Pb3(Cl,OH)4(SeO3)·(H2O) |
8.000(11.05) | 200 | 7.600(11.63) | 140 | 5.980(14.80) | 100 | Paracelsian | BaAl2Si2O8 |
8.028(11.01) | 200 | 20.660(4.27) | 200 | 6.870(12.88) | 180 | Kanemite | NaHSi2O5·3(H2O) |
8.040(11.00) | 200 | 4.592(19.31) | 160 | 4.754(18.65) | 120 | Barstowite | Pb4(CO3)Cl6·(H2O) |
8.040(11.00) | 200 | 3.926(22.63) | 180 | 3.992(22.25) | 160 | Thomsenolite | NaCaAlF6·(H2O) |
8.060(10.97) | 200 | 23.200(3.81) | 64 | 4.228(20.99) | 32 | Tschernichite | (Ca,Na)(Si6Al2)O16·4-8(H2O) |
8.060(10.97) | 200 | 5.108(17.35) | 180 | 5.940(14.90) | 120 | Kipushite | (Cu,Zn)5Zn(PO4)2(OH)6·(H2O) |
8.080(10.94) | 200 | 5.140(17.24) | 160 | 6.660(13.28) | 160 | Vrbaite | Tl4Hg3Sb2As8S20 |
[ 1 ] [ 2 ] [ 3 ] [ 4 ] [ 5 ] [ 6 ] [ 7 ] [ 8 ] [ 9 ] [ 10 ] [ 11 ] [ 12 ] [ 13 ] [ 14 ] [ 15 ] [ 16 ] [ 17 ] [ 18 ] [ 19 ] [ 20 ] [ 21 ] [ 22 ] [ 23 ] [ 24 ] [ 25 ] [ 26 ] [ 27 ] [ 28 ] [ 29 ] [ 30 ] [ 31 ] [ 32 ] [ 33 ] [ 34 ] [ 35 ] [ 36 ] [ 37 ] [ 38 ] [ 39 ] [ 40 ] [ 41 ] [ 42 ] [ 43 ] [ 44 ] [ 45 ]