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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 |
| 6.696(13.21) | 200 | 6.268(14.12) | 170 | 24.900(3.55) | 140 | Charoite | K5Ca8(Si6O15)2(Si2O7)Si4O9(OH)·3(H2O) |
| 6.700(13.20) | 200 | 5.726(15.46) | 190 | 3.960(22.43) | 70 | Cinnabar | HgS |
| 6.700(13.20) | 200 | 3.350(26.59) | 160 | 3.082(28.95) | 120 | Graphite | C |
| 6.700(13.20) | 200 | 6.140(14.41) | 160 | 6.520(13.57) | 160 | Inderborite | CaMg[B3O3(OH)5]2·6(H2O) |
| 6.700(13.20) | 200 | 6.280(14.09) | 180 | 5.240(16.91) | 140 | Zeravshanite | Cs4Na2Zr3(Si18O45)(H2O)2 |
| 6.700(13.20) | 200 | 6.120(14.46) | 180 | 8.500(10.40) | 120 | Faizievite | K2Na(Ca6Na)Ti4Li6Si24O66F2 |
| 6.700(13.20) | 200 | 6.940(12.74) | 200 | 6.040(14.65) | 190 | Celsian | BaAl2Si2O8 |
| 6.700(13.20) | 200 | 6.260(14.14) | 180 | 3.900(22.78) | 160 | Schultenite | PbHAsO4 |
| 6.700(13.20) | 200 | 3.864(23.00) | 140 | 4.386(20.23) | 100 | Danalite | Fe++4Be3(SiO4)3S |
| 6.700(13.20) | 200 | 6.720(13.16) | 200 | 9.340(9.46) | 180 | Dorfmanite | Na2(PO3OH)·2(H2O) |
| 6.702(13.20) | 200 | 5.884(15.04) | 160 | 3.536(25.16) | 160 | Laforetite | AgInS2 |
| 6.702(13.20) | 200 | 5.288(16.75) | 162 | 3.530(25.21) | 126 | Cassiterite | SnO2 |
| 6.720(13.16) | 200 | 3.280(27.16) | 100 | 8.460(10.45) | 100 | Ilsemannite | Mo3O8·n(H2O) (?) |
| 6.720(13.16) | 200 | 8.860(9.98) | 200 | 9.320(9.48) | 160 | Sinoite | Si2N2O |
| 6.720(13.16) | 200 | 3.364(26.47) | 40 | 17.940(4.92) | 40 | Sidorenkite | Na3Mn(PO4)(CO3) |
| 6.720(13.16) | 200 | 4.080(21.76) | 140 | 6.400(13.83) | 140 | Giniite | Fe++Fe+++4(PO4)4(OH)2·2(H2O) |
| 6.720(13.16) | 200 | 4.116(21.57) | 160 | 3.506(25.38) | 120 | Hawleyite | CdS |
| 6.720(13.16) | 200 | 5.740(15.42) | 120 | 5.920(14.95) | 100 | Ourayite | Pb4Ag3Bi5S13 |
| 6.720(13.16) | 200 | 5.740(15.42) | 120 | 5.920(14.95) | 100 | Eskimoite | Ag7Pb10Bi15S36 |
| 6.720(13.16) | 200 | 9.240(9.56) | 200 | 4.680(18.95) | 160 | Bottinoite | NiSb+++++2(OH)12·6(H2O) |
| 6.720(13.16) | 200 | 7.040(12.56) | 170 | 11.200(7.89) | 140 | Santite | KB5O6(OH)4·2(H2O) |
| 6.720(13.16) | 200 | 9.280(9.52) | 170 | 10.560(8.37) | 150 | Downeyite | SeO2 |
| 6.722(13.16) | 200 | 6.626(13.35) | 160 | 9.680(9.13) | 120 | Barbosalite | Fe++Fe+++2(PO4)2(OH)2 |
| 6.724(13.16) | 200 | 7.930(11.15) | 180 | 5.466(16.20) | 140 | Eucryptite | LiAlSiO4 |
| 6.728(13.15) | 200 | 7.794(11.34) | 140 | 8.658(10.21) | 140 | Filatovite | K[(Al,Zn)2(As,Si)2O8] |
| 6.734(13.14) | 200 | 3.508(25.37) | 180 | 5.184(17.09) | 180 | Tapiolite-(Mn) | (Mn++,Fe++)(Ta,Nb)2O6 |
| 6.734(13.14) | 200 | 14.480(6.10) | 200 | 6.136(14.42) | 160 | Bannermanite | (Na,K)0.7V+++++6O15 |
| 6.734(13.14) | 200 | 20.400(4.33) | 200 | 5.288(16.75) | 160 | Siderophyllite | KFe++2Al(Al2Si2)O10(F,OH)2 |
| 6.738(13.13) | 200 | 8.560(10.33) | 50 | 3.670(24.23) | 32 | Berlinite | AlPO4 |
| 6.740(13.12) | 200 | 6.520(13.57) | 180 | 7.800(11.33) | 60 | Rayite | (Ag,Tl)2Pb8Sb8S21 |
| 6.740(13.12) | 200 | 4.114(21.58) | 180 | 3.512(25.34) | 160 | Gananite | BiF3 |
| 6.740(13.12) | 200 | 4.818(18.40) | 170 | 6.440(13.74) | 150 | Litidionite | KNaCuSi4O10 |
| 6.740(13.12) | 200 | 6.920(12.78) | 200 | 8.400(10.52) | 180 | Bikitaite | Li2[Al2Si4O12]·2(H2O) |
| 6.740(13.12) | 200 | 20.200(4.37) | 200 | 5.320(16.65) | 160 | Biotite | K(Mg,Fe++)3[AlSi3O10(OH,F)2 |
| 6.740(13.12) | 200 | 4.040(21.98) | 110 | 5.040(17.58) | 110 | Kinoshitalite | (Ba,K)(Mg,Mn,Al)3Si2Al2O10(OH)2 |
| 6.740(13.12) | 200 | 22.600(3.91) | 200 | 7.720(11.45) | 160 | Boggsite | NaCa2(Al5Si19O48)·17(H2O) |
| 6.740(13.12) | 200 | 6.360(13.91) | 160 | 17.400(5.07) | 120 | Sainfeldite | Ca5(AsO3OH)2(AsO4)2·4(H2O) |
| 6.740(13.12) | 200 | 5.280(16.78) | 128 | 6.620(13.36) | 116 | Arapovite | (U,Th)(Ca,Na)2(K1-x[ ]x)Si8O20·H2O, x=0.5 |
| 6.752(13.10) | 200 | 6.406(13.81) | 160 | 5.168(17.14) | 140 | Lucasite-(Ce) | CeTi2(O,OH)6 |
| 6.752(13.10) | 200 | 6.772(13.06) | 200 | 17.166(5.14) | 200 | Sekaninaite | (Fe++,Mg)2Al4Si5O18 |
| 6.760(13.09) | 200 | 11.200(7.89) | 200 | 13.600(6.49) | 120 | Minyulite | KAl2(PO4)2(OH,F)·4(H2O) |
| 6.760(13.09) | 200 | 5.586(15.85) | 60 | 6.000(14.75) | 60 | Thadeuite | (Ca,Mn++)(Mg,Fe++,Mn+++)3(PO4)2(OH,F)2 |
| 6.760(13.09) | 200 | 5.806(15.25) | 100 | 5.574(15.89) | 90 | Minium | Pb++2Pb++++O4 |
| 6.760(13.09) | 200 | 3.024(29.51) | 160 | 4.380(20.26) | 160 | Boromullite | Al4.5SiB0.5O9.5 |
| 6.760(13.09) | 200 | 4.136(21.47) | 110 | 3.529(25.22) | 90 | Metacinnabar | HgS |
| 6.760(13.09) | 200 | 7.040(12.56) | 200 | 4.140(21.45) | 120 | Lausenite | Fe+++2(SO4)3·6(H2O) |
| 6.760(13.09) | 200 | 5.096(17.39) | 180 | 20.200(4.37) | 160 | Magnesioastrophyllite | K2Na[Na(Fe++,Fe+++,Mn)Mg2]Ti2Si8O26(OH)4F |
| 6.760(13.09) | 200 | 16.960(5.21) | 160 | 6.300(14.05) | 140 | Sadanagaite | (K,Na)Ca2(Fe++,Mg,Al,Ti)5[(Si,Al)8O22](OH)2 |
| 6.760(13.09) | 200 | 5.680(15.59) | 140 | 7.560(11.70) | 140 | Dadsonite | Pb21Sb23S55Cl |
| 6.760(13.09) | 200 | 10.440(8.46) | 180 | 14.640(6.03) | 180 | Steacyite | K1-x(Ca,Na)2ThSi8O20 (x=0.2 to 0.4) |
| 6.760(13.09) | 200 | 4.354(20.38) | 180 | 4.146(21.41) | 160 | Xilingolite | Pb3Bi2S6 |
| 6.764(13.08) | 200 | 5.362(16.52) | 140 | 3.402(26.17) | 100 | Dukeite | Bi+++24Cr++++++8O57(OH)6(H2O)3 |
| 6.770(13.07) | 200 | 6.630(13.34) | 156 | 5.878(15.06) | 94 | Wilhelmkleinite | ZnFe+++3(AsO4)2(OH)2 |
| 6.772(13.06) | 200 | 5.106(17.35) | 180 | 5.842(15.15) | 160 | Souzalite | (Mg,Fe++)3(Al,Fe+++)4(PO4)4(OH)6·2(H2O) |
| 6.772(13.06) | 200 | 3.910(22.72) | 68 | 5.246(16.89) | 24 | Helvite | Mn4Be3(SiO4)3S |
| 6.780(13.05) | 200 | 8.640(10.23) | 114 | 6.260(14.14) | 100 | Jarandolite | Ca[B3O4(OH)3] |
| 6.780(13.05) | 100 | 2.740(32.65) | 200 | 2.760(32.41) | 200 | Lutecite | SiO2 |
| 6.780(13.05) | 200 | 7.080(12.49) | 134 | 11.060(7.99) | 96 | Zincovoltaite | K2Zn5Fe+++3Al(SO4)12·18(H2O) |
| 6.780(13.05) | 200 | 6.820(12.97) | 170 | 4.620(19.20) | 80 | Ferruccite | NaBF4 |
| 6.780(13.05) | 200 | 5.732(15.45) | 160 | 5.304(16.70) | 140 | Francisite | Cu3Bi(SeO3)2O2Cl |
| 6.780(13.05) | 200 | 6.440(13.74) | 140 | 8.820(10.02) | 140 | Gillespite | BaFe++Si4O10 |
| 6.780(13.05) | 200 | 7.840(11.28) | 160 | 8.080(10.94) | 160 | Robinsonite | Pb4Sb6S13 |
| 6.780(13.05) | 200 | 5.298(16.72) | 100 | 8.700(10.16) | 70 | Paramontroseite | VO2 |
| 6.780(13.05) | 200 | 6.856(12.90) | 190 | 4.412(20.11) | 120 | Mullite | Al(4+2x)Si(2-2x)O(10-x) where x =0.17 to 0.59 |
| 6.784(13.04) | 200 | 6.420(13.78) | 164 | 4.460(19.89) | 138 | Vistepite | Mn++4Sn++++B2(SiO4)4(OH)2 |
| 6.784(13.04) | 200 | 6.228(14.21) | 180 | 4.168(21.30) | 66 | Joelbruggerite | Pb3Zn3Sb+++++As2O13(OH) |
| 6.786(13.04) | 200 | 5.448(16.26) | 140 | 16.274(5.43) | 120 | Humberstonite | K3Na7Mg2(SO4)6(NO3)2·6(H2O) |
| 6.786(13.04) | 200 | 6.240(14.18) | 170 | 6.376(13.88) | 130 | Vonbezingite | Ca6Cu3(SO4)3(OH)12·2(H2O) |
| 6.790(13.03) | 200 | 5.638(15.70) | 106 | 5.478(16.17) | 96 | Tsugaruite | Pb4As2S7 |
| 6.790(13.03) | 200 | 5.108(17.35) | 180 | 5.850(15.13) | 160 | Gormanite | Fe++3Al4(PO4)4(OH)6·2(H2O) |
| 6.792(13.02) | 200 | 3.954(22.47) | 130 | 6.546(13.52) | 104 | Aragonite | CaCO3 |
| 6.792(13.02) | 200 | 6.710(13.18) | 180 | 5.440(16.28) | 160 | Madocite | Pb17(Sb,As)16S41 |
| 6.792(13.02) | 200 | 5.696(15.54) | 62 | 4.156(21.36) | 58 | Pertlikite | K2(Fe++,Mg)2(Mg,Fe+++)4Fe+++2Al(SO4)12·18H2O |
| 6.798(13.01) | 200 | 7.784(11.36) | 140 | 5.924(14.94) | 100 | Macfallite | Ca2(Mn+++,Al)3(SiO4)(Si2O7)(OH)3 |
| 6.800(13.01) | 200 | 7.040(12.56) | 160 | 5.420(16.34) | 140 | Tintinaite | Pb22Cu+4(Sb,Bi)30S69 |
| 6.800(13.01) | 200 | 11.080(7.97) | 180 | 5.718(15.48) | 160 | Formicaite | Ca(HCOO)2 |
| 6.800(13.01) | 200 | 9.800(9.02) | 180 | 7.360(12.01) | 160 | Dashkovaite | Mg(HCOO)2·2(H2O) |
| 6.800(13.01) | 200 | 3.140(28.40) | 80 | 4.160(21.34) | 80 | Monsmedite | H8K2Tl2(SO4)8·11(H2O) |
| 6.800(13.01) | 200 | 5.600(15.81) | 160 | 8.320(10.62) | 100 | Jagoite | (Pb,Na,Ca)3(Fe+++,Mg)Si3O10(Cl,OH) |
| 6.800(13.01) | 200 | 6.080(14.56) | 180 | 19.340(4.57) | 160 | Jamesite | Pb2Zn2Fe+++5(AsO4)5O4 |
| 6.800(13.01) | 200 | 10.620(8.32) | 140 | 5.308(16.69) | 118 | Turkestanite | Th(Ca,Na)2(K1-x,[ ]x)Si8O20·n(H2O) |
| 6.800(13.01) | 200 | 3.500(25.43) | 180 | 4.120(21.55) | 160 | Vikingite | Ag5Pb8Bi13S30 |
| 6.800(13.01) | 200 | 5.280(16.78) | 120 | 4.560(19.45) | 100 | Manganite | MnO(OH) |
| 6.800(13.01) | 200 | 5.116(17.32) | 120 | 4.100(21.66) | 100 | Kuranakhite | PbMn++++Te++++++O6 |
| 6.800(13.01) | 200 | 7.720(11.45) | 196 | 5.820(15.21) | 148 | Armenite | BaCa2Al6Si9O30·2(H2O) |
| 6.800(13.01) | 200 | 5.680(15.59) | 180 | 3.480(25.58) | 120 | Hallimondite | Pb2(UO2)(AsO4)2 |
| 6.804(13.00) | 200 | 6.738(13.13) | 148 | 5.630(15.73) | 140 | Rouxelite | Cu2HgPb22Sb28S64(O,S)2 |
| 6.810(12.99) | 200 | 6.124(14.45) | 112 | 5.026(17.63) | 98 | Cobaltkieserite | CoSO4·H2O |
| 6.818(12.97) | 200 | 6.662(13.28) | 180 | 9.680(9.13) | 180 | Kieserite | MgSO4·(H2O) |
| 6.820(12.97) | 200 | 4.180(21.24) | 80 | 5.700(15.53) | 60 | Heyrovskyite | Pb10AgBi5S18 |
| 6.820(12.97) | 200 | 6.520(13.57) | 160 | 6.120(14.46) | 150 | Avogadrite | (K,Cs)BF4 |
| 6.820(12.97) | 200 | 4.540(19.54) | 100 | 13.660(6.47) | 80 | Cerotungstite-(Ce) | (Ce,REE)W2O6(OH)3 |
| 6.820(12.97) | 200 | 3.500(25.43) | 140 | 4.080(21.76) | 140 | Usovite | Ba2CaMgAl2F14 |
| 6.820(12.97) | 200 | 11.140(7.93) | 180 | 5.800(15.26) | 160 | Wairakite | CaAl2Si4O12·2(H2O) |
| 6.822(12.97) | 200 | 6.504(13.60) | 166 | 10.520(8.40) | 136 | Sazhinite-(La) | Na3La[Si6O15]·2(H2O) |
| 6.824(12.96) | 200 | 4.062(21.86) | 120 | 5.442(16.27) | 120 | Sakharovaite | (Pb,Fe)(Bi,Sb)2S4 |
| 6.828(12.95) | 200 | 4.028(22.05) | 160 | 5.786(15.30) | 140 | Eclarite | Pb9(Cu,Fe)Bi12S28 |
| 6.828(12.95) | 200 | 20.260(4.36) | 200 | 6.396(13.83) | 160 | Sidpietersite | Pb++4(S++++++O3S--)O2(OH)2 |
| 6.832(12.95) | 200 | 5.854(15.12) | 128 | 6.372(13.89) | 80 | Lukrahnite | Ca(Cu,Zn)(Fe,Zn)(AsO4)2(OH,H2O)2 |
| 6.836(12.94) | 200 | 5.526(16.03) | 190 | 4.716(18.80) | 146 | Leningradite | PbCu++3(VO4)2Cl2 |