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 |
3.480(25.58) | 200 | 5.120(17.31) | 160 | 6.660(13.28) | 160 | Tapiolite | (Fe,Mn)(Ta,Nb)2O6 |
3.480(25.58) | 200 | 5.740(15.42) | 200 | 6.640(13.32) | 200 | Irarsite | (Ir,Ru,Rh,Pt)AsS |
3.480(25.58) | 200 | 5.120(17.31) | 160 | 6.660(13.28) | 160 | Tapiolite-(Fe) | (Fe++,Mn++)(Ta,Nb)2O6 |
3.480(25.58) | 200 | 5.740(15.42) | 200 | 6.620(13.36) | 200 | Hollingworthite | (Rh,Pt,Pd)AsS |
3.480(25.58) | 200 | 7.400(11.95) | 140 | 10.040(8.80) | 140 | Clinohumite | (Mg,Fe++)9(SiO4)4(F,OH)2 |
3.486(25.53) | 200 | 5.738(15.43) | 200 | 5.302(16.71) | 140 | Sonolite | Mn9(SiO4)4(OH,F)2 |
3.488(25.52) | 180 | 5.220(16.97) | 160 | 6.600(13.40) | 140 | Bezsmertnovite | Au4Cu(Te,Pb) |
3.492(25.49) | 200 | 5.792(15.28) | 180 | 6.690(13.22) | 160 | Platarsite | (Pt,Rh,Ru)AsS |
3.500(25.43) | 200 | 5.200(17.04) | 160 | 6.660(13.28) | 160 | Varlamoffite | (Sn,Fe)(O,OH)2 |
3.500(25.43) | 200 | 3.800(23.39) | 140 | 5.960(14.85) | 120 | Malanite | Cu(Pt,Ir)2S4 |
3.500(25.43) | 200 | 5.700(15.53) | 200 | 4.860(18.24) | 140 | Gehlenite | Ca2Al(AlSi)O7 |
3.510(25.35) | 200 | 4.960(17.87) | 200 | 6.000(14.75) | 160 | Trustedtite | Ni3Se4 |
3.510(25.35) | 200 | 3.704(24.01) | 180 | 3.098(28.79) | 160 | Polkanovite | Rh12As7 |
3.516(25.31) | 200 | 6.000(14.75) | 200 | 2.018(44.88) | 180 | Cuprorhodsite | CuRh2S4 |
3.520(25.28) | 200 | 6.000(14.75) | 200 | 4.978(17.80) | 180 | Cuproiridsite | CuIr2S4 |
3.526(25.24) | 200 | 5.960(14.85) | 200 | 4.918(18.02) | 180 | Konderite | PbCu3(Rh,Pt,Ir)8S16 |
3.526(25.24) | 200 | 6.016(14.71) | 200 | 3.836(23.17) | 160 | Cobaltpentlandite | Co9S8 |
3.530(25.21) | 200 | 5.700(15.53) | 160 | 6.480(13.65) | 120 | Roshchinite | Ag19Pb10Sb51S96 or Pb(Ag,Cu)2(Sb,As)5S10 |
3.530(25.21) | 200 | 6.000(14.75) | 160 | 11.600(7.61) | 160 | Xingzhongite | (Pb,Cu,Fe)(Ir,Pt,Rh)2S4 |
3.532(25.19) | 200 | 5.334(16.61) | 200 | 6.198(14.28) | 200 | Yftisite-(Y) | (Y,Dy,Er)4(Ti,Sn)O(SiO4)2(F,OH)6 |
3.536(25.16) | 200 | 6.020(14.70) | 200 | 5.000(17.72) | 160 | Florensovite | Cu(Cr1.5Sb0.5)S4 |
3.538(25.15) | 200 | 5.002(17.72) | 180 | 5.772(15.34) | 140 | Tyrrellite | (Cu,Co,Ni)3Se4 |
3.540(25.14) | 200 | 6.040(14.65) | 160 | 5.020(17.65) | 120 | Daubreelite | Fe++Cr2S4 |
3.548(25.08) | 200 | 6.040(14.65) | 180 | 4.480(19.80) | 180 | Miassite | Rh17S15 |
3.550(25.06) | 200 | 6.060(14.61) | 160 | 3.862(23.01) | 100 | Pentlandite | (Fe,Ni)9S8 |
3.552(25.05) | 200 | 17.400(5.07) | 200 | 6.140(14.41) | 180 | Vozhminite | (Ni,Co)4(As,Sb)S2 |
3.558(25.01) | 200 | 5.780(15.32) | 180 | 5.900(15.00) | 180 | Weberite | Na2MgAlF7 |
3.564(24.96) | 200 | 4.664(19.01) | 160 | 6.204(14.26) | 160 | Welinite-VIII | (Mn++,Mg)3(W++++++,Mn+++)1-x(SiO4)(O,OH)3 (x=1/3) |
3.564(24.96) | 200 | 4.664(19.01) | 160 | 6.204(14.26) | 160 | Welinite-III | Mn++6(W++++++,Mg)2Si2(O,OH)14 |
3.565(24.96) | 200 | 6.786(13.04) | 178 | 5.026(17.63) | 158 | Manganhumite | (Mn,Mg)7(SiO4)3(OH)2 |
3.582(24.84) | 160 | 4.640(19.11) | 160 | 3.488(25.52) | 160 | Felbertalite | Cu2Pb6Bi8S19 |
3.592(24.77) | 200 | 5.104(17.36) | 160 | 5.746(15.41) | 160 | Ribbeite | (Mn++,Mg)5(SiO4)2(OH)2 |
3.594(24.75) | 200 | 2.650(33.80) | 160 | 4.444(19.96) | 160 | Zoubekite | AgPb4Sb4S10 |
3.596(24.74) | 200 | 3.992(22.25) | 160 | 6.886(12.85) | 40 | Ertixiite | Na2Si4O9 |
3.598(24.72) | 200 | 5.720(15.48) | 160 | 5.196(17.05) | 120 | Alleghanyite | Mn5(SiO4)2(OH)2 |
3.600(24.71) | 200 | 4.040(21.98) | 200 | 5.400(16.40) | 200 | Wilkmanite | Ni3Se4 |
3.600(24.71) | 200 | 3.550(25.06) | 180 | 3.490(25.50) | 160 | Vincentite | (Pd,Pt)3(As,Sb,Te) |
3.602(24.70) | 200 | 2.296(39.20) | 140 | 5.960(14.85) | 120 | Sperrylite | PtAs2 |
3.602(24.70) | 200 | 5.890(15.03) | 200 | 3.074(29.02) | 180 | Calzirtite | CaZr3TiO9 |
3.608(24.65) | 200 | 5.784(15.31) | 200 | 7.414(11.93) | 120 | Nordenskioldine | CaSnB2O6 |
3.612(24.63) | 200 | 5.114(17.33) | 200 | 5.738(15.43) | 156 | Jerrygibbsite | (Mn,Zn)9(SiO4)4(OH)2 |
3.612(24.63) | 200 | 5.754(15.39) | 180 | 5.368(16.50) | 160 | Leucophoenicite | Mn7(SiO4)3(OH)2 |
3.620(24.57) | 200 | 6.540(13.53) | 200 | 6.320(14.00) | 180 | Nasonite | Pb6Ca4Si6O21Cl2 |
3.622(24.56) | 200 | 5.288(16.75) | 200 | 7.038(12.57) | 200 | Chernovite-(Y) | YAsO4 |
3.626(24.53) | 200 | 2.292(39.28) | 180 | 5.980(14.80) | 180 | Tolovkite | IrSbS |
3.636(24.46) | 200 | 6.240(14.18) | 160 | 8.340(10.60) | 160 | Tungusite | [Ca14(OH)8](Si8020)(Si8020)2[Fe++9(OH)14] |
3.638(24.45) | 200 | 4.480(19.80) | 200 | 6.340(13.96) | 200 | Argentite | Ag2S |
3.640(24.43) | 200 | 6.890(12.84) | 178 | 3.976(22.34) | 164 | Rambergite | MnS |
3.656(24.33) | 200 | 5.970(14.83) | 140 | 4.744(18.69) | 120 | Djerfisherite | K6Na(Fe,Cu,Ni)25S26Cl |
3.660(24.30) | 200 | 5.780(15.32) | 180 | 3.320(26.83) | 160 | Heazlewoodite | Ni3S2 |
3.660(24.30) | 200 | 5.620(15.76) | 200 | 6.180(14.32) | 200 | Plombierite | Ca5H2Si6O18·6H2O |
3.664(24.27) | 200 | 5.860(15.11) | 180 | 6.160(14.37) | 160 | Betekhtinite | Cu10(Fe,Pb)S6 |
3.668(24.24) | 200 | 4.386(20.23) | 200 | 6.522(13.57) | 180 | Chukhrovite-(Y) | Ca3(Y,Ce)Al2(SO4)F13·10(H2O) |
3.670(24.23) | 200 | 4.756(18.64) | 180 | 5.992(14.77) | 180 | Owensite | (Ba,Pb)6(Cu,Fe,Ni)25S27 |
3.676(24.19) | 200 | 2.344(38.37) | 190 | 1.858(48.99) | 180 | Kalungaite | PdAsSe |
3.678(24.18) | 200 | 15.340(5.76) | 200 | 4.680(18.95) | 180 | Chlormagaluminite | (Mg,Fe++)4Al2(OH)12(Cl2,CO3)·2(H2O) |
3.684(24.14) | 200 | 5.274(16.80) | 180 | 5.138(17.24) | 160 | Zirsinalite | Na6(Ca,Mn,Fe++)Zr[Si6O18] |
3.688(24.11) | 200 | 6.120(14.46) | 160 | 3.778(23.53) | 120 | Luobusaite | Fe0.83Si2 |
3.698(24.05) | 200 | 6.180(14.32) | 160 | 9.200(9.61) | 160 | Caledonite | Pb5Cu2(CO3)(SO4)3(OH)6 |
3.700(24.03) | 200 | 5.260(16.84) | 160 | 5.380(16.46) | 160 | Glaucochroite | CaMnSiO4 |
3.708(23.98) | 200 | 5.654(15.66) | 200 | 6.028(14.68) | 200 | Saryarkite-(Y) | Ca(Y,Th)Al5(SiO4)2(PO4,SO4)2(OH)7·6(H2O) |
3.712(23.95) | 200 | 5.600(15.81) | 200 | 7.000(12.64) | 200 | Plattnerite | PbO2 |
3.716(23.93) | 200 | 6.340(13.96) | 200 | 4.036(22.01) | 80 | Argentopentlandite | Ag(Fe,Ni)8S8 |
3.720(23.90) | 200 | 5.500(16.10) | 140 | 5.020(17.65) | 120 | Changchengite | IrBiS |
3.734(23.81) | 200 | 6.890(12.84) | 200 | 3.940(22.55) | 180 | Calciborite | CaB2O4 |
3.734(23.81) | 200 | 3.186(27.98) | 198 | 5.284(16.76) | 130 | Plumbomicrolite | (Pb,Ca,U)2Ta2O6(OH) |
3.740(23.77) | 200 | 6.080(14.56) | 200 | 3.180(28.04) | 100 | Arsenosulvanite | Cu3(As,V)S4 |
3.742(23.76) | 200 | 3.928(22.62) | 180 | 4.774(18.57) | 180 | Djurleite | Cu31S16 |
3.748(23.72) | 200 | 2.942(30.36) | 138 | 4.730(18.74) | 138 | Brizziite-VII | NaSb+++++O3 |
3.748(23.72) | 200 | 2.942(30.36) | 138 | 4.730(18.74) | 138 | Brizziite-III | NaSb+++++O3 |
3.750(23.71) | 200 | 5.860(15.11) | 160 | 3.624(24.54) | 140 | Luberoite | Pt5Se4 |
3.750(23.71) | 200 | 6.396(13.83) | 200 | 4.082(21.75) | 162 | Palladseite | Pd17Se15 |
3.754(23.68) | 200 | 3.918(22.68) | 180 | 3.996(22.23) | 160 | Novakite | (Cu,Ag)21As10 |
3.760(23.64) | 200 | 3.949(22.50) | 140 | 4.806(18.45) | 140 | Chalcocite | Cu2S |
3.772(23.57) | 200 | 5.340(16.59) | 200 | 15.140(5.83) | 200 | Borcarite | Ca4MgB4O6(OH)6(CO3)2 |
3.774(23.55) | 200 | 9.794(9.02) | 200 | 4.684(18.93) | 176 | Zincalstibite | Zn2AlSb(OH)12 |
3.780(23.52) | 200 | 3.660(24.30) | 180 | 4.000(22.21) | 180 | Synchysite-(Y) | CaY(CO3)2F |
3.780(23.52) | 200 | 6.560(13.49) | 180 | 5.080(17.44) | 120 | Eglestonite | Hg6Cl3O(OH) (?) |
3.780(23.52) | 200 | 7.400(11.95) | 160 | 6.360(13.91) | 120 | Gerasimovskite | (Mn,Ca)(Nb,Ti)5O12·9(H2O) (?) |
3.784(23.49) | 200 | 3.960(22.43) | 200 | 6.160(14.37) | 200 | Hypercinnabar | HgS |
3.784(23.49) | 200 | 7.580(11.66) | 200 | 3.740(23.77) | 160 | Osarsite | (Os,Ru)AsS |
3.798(23.40) | 200 | 6.122(14.46) | 110 | 5.534(16.00) | 70 | Yarrowite | Cu9S8 |
3.800(23.39) | 200 | 5.000(17.72) | 200 | 5.200(17.04) | 200 | Hastite | CoSe2 |
3.804(23.37) | 200 | 6.670(13.26) | 160 | 5.806(15.25) | 150 | Reinhardbraunsite | Ca5(SiO4)2(OH,F)2 |
3.808(23.34) | 200 | 3.318(26.85) | 126 | 6.068(14.59) | 124 | Kumtyubeite | Ca5(SiO4)2F2 |
3.808(23.34) | 200 | 6.220(14.23) | 160 | 3.250(27.42) | 80 | Chatkalite | Cu6Fe++Sn2S8 |
3.820(23.27) | 200 | 6.152(14.39) | 170 | 5.554(15.94) | 60 | Spionkopite | Cu1.4S |
3.820(23.27) | 200 | 4.422(20.06) | 200 | 9.040(9.78) | 200 | Hongshiite | PtCu |
3.820(23.27) | 200 | 5.456(16.23) | 148 | 6.082(14.55) | 130 | Chegemite | Ca7(SiO4)3(OH)2 |
3.830(23.20) | 200 | 5.260(16.84) | 200 | 5.340(16.59) | 160 | Omeiite | (Os,Ru)As2 |
3.832(23.19) | 200 | 4.620(19.20) | 200 | 4.094(21.69) | 198 | Ekaterinite | Ca2B4O7(Cl,OH)2·2(H2O) |
3.836(23.17) | 200 | 4.348(20.41) | 200 | 6.660(13.28) | 200 | Genthelvite | Zn4Be3(SiO4)3S |
3.836(23.17) | 200 | 5.420(16.34) | 100 | 7.660(11.54) | 70 | Neighborite | NaMgF3 |
3.836(23.17) | 200 | 3.954(22.47) | 200 | 4.220(21.03) | 80 | Orcelite | Ni5-xAs2 (x=0.23) |
3.840(23.14) | 200 | 2.190(41.19) | 180 | 3.002(29.74) | 180 | Anduoite | (Ru,Os)As2 |
3.848(23.09) | 200 | 3.954(22.47) | 200 | 4.300(20.64) | 130 | Perryite | (Ni,Fe)8(Si,P)3 |
3.850(23.08) | 200 | 6.290(14.07) | 180 | 6.564(13.48) | 180 | Geffroyite | (Ag,Cu,Fe)9(Se,S)8 |
3.852(23.07) | 200 | 2.938(30.40) | 180 | 4.732(18.74) | 180 | Satpaevite | Al12V++++2V+++++6O37·30(H2O) |
3.860(23.02) | 200 | 2.264(39.78) | 180 | 2.470(36.34) | 160 | Gaotaiite | Ir3Te8 |
3.860(23.02) | 200 | 5.960(14.85) | 200 | 6.540(13.53) | 200 | Juanite | Ca10Mg4Al2Si11O39·4(H2O) (?) |
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