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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 |
| 5.656(15.65) | 200 | 18.620(4.74) | 180 | 10.680(8.27) | 120 | Segelerite | CaMgFe+++(PO4)2(OH)·4(H2O) |
| 5.658(15.65) | 200 | 5.672(15.61) | 160 | 4.876(18.18) | 100 | Ernstite | (Mn++1-xFe+++x)Al(PO4)(OH)2-xOx |
| 5.658(15.65) | 200 | 4.540(19.54) | 180 | 5.062(17.51) | 142 | Mineevite-(Y) | Na25Ba(Y,Gd,Dy)2(HCO3)4(CO3)11(SO4)2ClF2 |
| 5.660(15.64) | 200 | 6.120(14.46) | 140 | 4.240(20.93) | 120 | Sinjarite | CaCl2·2(H2O) |
| 5.660(15.64) | 200 | 3.420(26.03) | 160 | 2.180(41.38) | 120 | Vaesite | NiS2 |
| 5.660(15.64) | 200 | 6.520(13.57) | 180 | 3.996(22.23) | 160 | Cuboargyrite | AgSbS |
| 5.660(15.64) | 200 | 6.260(14.14) | 200 | 5.120(17.31) | 180 | Gadolinite-(Y) | Y2Fe++Be2Si2O10 |
| 5.660(15.64) | 200 | 6.220(14.23) | 200 | 5.080(17.44) | 180 | Minasgeraisite-(Y) | CaY2Be2Si2O10 |
| 5.660(15.64) | 200 | 5.706(15.52) | 126 | 5.130(17.27) | 110 | Ternesite | Ca5(SiO4)2SO4 |
| 5.660(15.64) | 200 | 4.220(21.03) | 180 | 3.560(24.99) | 160 | Landauite | NaMnZn2(Ti,Fe+++)6Ti12O38 |
| 5.660(15.64) | 200 | 6.960(12.71) | 160 | 5.960(14.85) | 140 | Freieslebenite | AgPbSbS3 |
| 5.660(15.64) | 200 | 6.360(13.91) | 180 | 13.220(6.68) | 180 | Afwillite | Ca3Si2O4(OH)6 |
| 5.660(15.64) | 200 | 4.840(18.31) | 180 | 5.840(15.16) | 160 | Jadeite | Na(Al,Fe+++)Si2O6 |
| 5.660(15.64) | 200 | 5.690(15.56) | 60 | 4.018(22.10) | 56 | Barioperovskite | BaTiO3 |
| 5.660(15.64) | 200 | 3.340(26.67) | 160 | 4.720(18.78) | 140 | Linnaeite | Co++Co+++2S4 |
| 5.660(15.64) | 200 | 5.360(16.53) | 120 | 3.386(26.30) | 100 | Arseniopleite | (Ca,Na)(Na,Pb)Mn++(Mn++,Mg,Fe++)2(AsO4)3 |
| 5.660(15.64) | 200 | 3.556(25.02) | 180 | 3.680(24.16) | 160 | Lomonosovite | Na5Ti2O2(Si2O7)(PO4) |
| 5.660(15.64) | 200 | 5.980(14.80) | 200 | 4.280(20.74) | 100 | Tristramite | (Ca,U++++,Fe+++)(PO4,SO4)·2(H2O) |
| 5.660(15.64) | 200 | 5.500(16.10) | 160 | 6.300(14.05) | 140 | Cafarsite | Ca8(Ti,Fe++,Fe+++,Mn)6-7(As+++O3)12·4(H2O) |
| 5.662(15.64) | 200 | 5.002(17.72) | 140 | 5.132(17.26) | 100 | Fayalite | Fe++2SiO4 |
| 5.662(15.64) | 200 | 6.096(14.52) | 140 | 7.820(11.31) | 120 | Skinnerite | Cu3SbS3 |
| 5.662(15.64) | 4.000(22.21) | 3.262(27.32) | Hapkeite | Fe2Si | |||
| 5.664(15.63) | 200 | 18.800(4.70) | 160 | 10.580(8.35) | 120 | Overite | CaMgAl(PO4)2(OH)·4(H2O) |
| 5.664(15.63) | 200 | 6.484(13.65) | 84 | 5.230(16.94) | 70 | Jasmundite | Ca11(SiO4)4O2S |
| 5.664(15.63) | 200 | 6.986(12.66) | 200 | 8.300(10.65) | 180 | Parapierrotite | Tl(Sb,As)5S8 |
| 5.666(15.63) | 200 | 5.546(15.97) | 160 | 9.740(9.07) | 140 | Laphamite | As2(Se,S)3 |
| 5.666(15.63) | 200 | 9.608(9.20) | 172 | 5.614(15.77) | 164 | Hennomartinite | SrMn+++2Si2O7(OH)2·(H2O) |
| 5.666(15.63) | 200 | 3.944(22.52) | 60 | 5.776(15.33) | 40 | Huntite | CaMg3(CO3)4 |
| 5.672(15.61) | 200 | 6.960(12.71) | 160 | 5.618(15.76) | 160 | Britholite-(Ce) | (Ce,Ca,Th,La,Nd)5(SiO4,PO4)3(OH,F) |
| 5.672(15.61) | 200 | 8.026(11.01) | 70 | 4.012(22.14) | 58 | Lakargiite | CaZrO3 |
| 5.674(15.60) | 200 | 5.390(16.43) | 160 | 7.880(11.22) | 120 | Pinchite | Hg++5O4Cl2 |
| 5.674(15.60) | 200 | 3.402(26.17) | 160 | 5.144(17.22) | 160 | Whitlockite | Ca9(Mg,Fe++)(PO4)6(PO3OH) |
| 5.674(15.60) | 200 | 23.200(3.81) | 186 | 7.740(11.42) | 150 | Tvedalite | (Ca,Mn++)4Be3Si6O17(OH)4·3(H2O) |
| 5.676(15.60) | 200 | 5.480(16.16) | 106 | 5.628(15.73) | 96 | Fluorcaphite | (Ca,Sr,Ce,Na)5(PO4)3F |
| 5.676(15.60) | 200 | 5.166(17.15) | 160 | 7.164(12.34) | 160 | Holdenite | (Mn,Mg)6Zn3(AsO4)2(SiO4)(OH)8 |
| 5.678(15.59) | 200 | 8.736(10.12) | 140 | 12.206(7.24) | 80 | Donnayite-(Y) | Sr3NaCaY(CO3)6·3(H2O) |
| 5.678(15.59) | 200 | 5.922(14.95) | 182 | 22.770(3.88) | 86 | Kentbrooksite | (Na,REE)15(Ca,REE)6Mn++Zr3NbSi25O74F2·2(H2O) |
| 5.678(15.59) | 200 | 5.564(15.92) | 180 | 5.666(15.63) | 180 | Janhaugite | (Na,Ca)3(Mn++,Fe++)3(Ti++++,Zr,Nb)2Si4O15(OH,F,O)3 |
| 5.678(15.59) | 200 | 6.300(14.05) | 180 | 6.030(14.68) | 160 | Grischunite | NaCa2Mn++5Fe+++(AsO4)6·2(H2O) |
| 5.678(15.59) | 200 | 5.996(14.76) | 140 | 6.500(13.61) | 120 | Wohlerite | NaCa2(Zr,Nb)Si2O7(O,OH,F)2 |
| 5.680(15.59) | 200 | 5.400(16.40) | 80 | 7.320(12.08) | 70 | Heliophyllite | Pb6As2O7Cl4 |
| 5.680(15.59) | 200 | 6.240(14.18) | 200 | 5.680(15.59) | 170 | Calcybeborosilite-(Y) | (REE,Ca)2[ ](B,Be)2(SiO4)2(OH,O)2 |
| 5.680(15.59) | 200 | 8.080(10.94) | 200 | 11.420(7.74) | 160 | IMA2007-047 | Pb2[B5O9]Cl·0.5H2O |
| 5.680(15.59) | 200 | 5.480(16.16) | 120 | 3.700(24.03) | 100 | Ellestadite-(OH) | Ca5(SiO4,SO4)3(OH,Cl,F) |
| 5.680(15.59) | 200 | 3.500(25.43) | 160 | 4.280(20.74) | 160 | Beyerite | (Ca,Pb)Bi2(CO3)2O2 |
| 5.680(15.59) | 200 | 5.506(16.08) | 80 | 6.240(14.18) | 80 | Deloneite-(Ce) | NaCa2SrCe(PO4)3F |
| 5.680(15.59) | 200 | 3.120(28.59) | 140 | 4.200(21.14) | 140 | Imgreite | NiTe |
| 5.680(15.59) | 200 | 5.480(16.16) | 180 | 3.704(24.01) | 160 | Ellestadite-(F) | Ca5(SiO4,PO4,SO4)3(F,OH,Cl) |
| 5.680(15.59) | 200 | 6.220(14.23) | 160 | 6.240(14.18) | 160 | Hingganite-(Y) | Y2([ ])Be2Si2O8(OH)2 |
| 5.680(15.59) | 200 | 7.300(12.11) | 180 | 4.560(19.45) | 140 | Beryllonite | NaBePO4 |
| 5.680(15.59) | 200 | 5.960(14.85) | 170 | 6.460(13.70) | 160 | Baghdadite | Ca3(Zr,Ti)Si2O9 |
| 5.680(15.59) | 200 | 3.526(25.24) | 70 | 7.320(12.08) | 70 | Rhodochrosite | MnCO3 |
| 5.682(15.58) | 200 | 5.926(14.94) | 184 | 8.600(10.28) | 182 | Ikranite | (Na,H3O)15(Ca,Mn,REE)6Fe+++2Zr3([ ],Zr)([ ],Si)Si24O66(O,OH)6Cl·2-3H2O |
| 5.684(15.58) | 200 | 7.546(11.72) | 188 | 5.328(16.62) | 140 | Carmichaelite | (Ti,Cr,Fe)[O2-x(OH)x],x~0.5 |
| 5.684(15.58) | 200 | 6.236(14.19) | 180 | 5.188(17.08) | 100 | Conichalcite | CaCu(AsO4)(OH) |
| 5.686(15.57) | 200 | 3.206(27.80) | 180 | 5.456(16.23) | 160 | Macedonite | PbTiO3 |
| 5.690(15.56) | 200 | 3.740(23.77) | 80 | 5.644(15.69) | 80 | Fluorbritholite-(Ce) | (Ca,Ce,La,Na)5(SiO4,PO4)3(OH,F) |
| 5.692(15.56) | 200 | 4.026(22.06) | 140 | 3.288(27.10) | 42 | Oldhamite | (Ca,Mg,Fe)S |
| 5.692(15.56) | 200 | 6.178(14.32) | 172 | 5.268(16.82) | 168 | Ciprianiite | Ca4[(Th,U)(REE)]2(Al,[ ])2[Si4B4O22](OH,F)2 |
| 5.694(15.55) | 200 | 8.280(10.68) | 200 | 14.280(6.18) | 200 | Silinaite | NaLiSi2O5·2(H2O) |
| 5.696(15.54) | 200 | 5.942(14.90) | 156 | 8.600(10.28) | 106 | Golyshevite | (Na,Ca)10Ca9(Fe+++,Fe++)2Zr3NbSi25O72(CO3)(OH)3·H2O |
| 5.698(15.54) | 200 | 6.142(14.41) | 100 | 6.200(14.27) | 100 | Foordite | Sn++(Nb,Ta)2O6 |
| 5.698(15.54) | 200 | 5.940(14.90) | 166 | 6.408(13.81) | 76 | Carbokentbrooksite | (Na,[ ])12(Na,Ce)3Ca6Mn3Zr3Nb(Si25O73)(OH)3(CO3)·H2O |
| 5.698(15.54) | 200 | 6.928(12.77) | 200 | 7.188(12.30) | 180 | Pavonite | (Ag,Cu)(Bi,Pb)3S5 |
| 5.700(15.53) | 200 | 3.020(29.55) | 180 | 4.380(20.26) | 180 | Barytolamprophyllite | Ba2Na3(Fe+++,Ti)3(Si2O7)2(O,OH,F)4 |
| 5.700(15.53) | 200 | 6.260(14.14) | 172 | 5.120(17.31) | 92 | Hingganite-(Ce) | (Ce,Ca)2([ ],Fe)Be2Si2O8[(OH),O]2 |
| 5.700(15.53) | 200 | 5.160(17.17) | 120 | 6.380(13.87) | 120 | Merrillite | Ca18Na2Mg2(PO4)14 |
| 5.700(15.53) | 200 | 5.680(15.59) | 160 | 6.180(14.32) | 100 | Balyakinite | CuTeO3 |
| 5.700(15.53) | 200 | 3.348(26.60) | 160 | 3.640(24.43) | 120 | Violarite | Fe++Ni+++2S4 |
| 5.700(15.53) | 200 | 6.970(12.69) | 100 | 7.260(12.18) | 100 | Makovickyite | Ag1.5Bi5.5S9 |
| 5.700(15.53) | 200 | 7.700(11.48) | 160 | 11.940(7.40) | 120 | Wadeite | K2ZrSi3O9 |
| 5.700(15.53) | 200 | 3.606(24.67) | 180 | 3.590(24.78) | 160 | Godlevskite | (Ni,Fe)9S8 |
| 5.700(15.53) | 200 | 5.440(16.28) | 160 | 7.320(12.08) | 160 | Ecdemite | Pb6As+++2O7Cl4 |
| 5.700(15.53) | 200 | 6.300(14.05) | 140 | 5.560(15.93) | 120 | Fluorcalciobritholite | (Ca,REE)5[(Si,P)O4]3F |
| 5.700(15.53) | 200 | 4.200(21.14) | 160 | 3.160(28.22) | 140 | Shuangfengite | IrTe2 |
| 5.700(15.53) | 200 | 11.780(7.50) | 170 | 5.740(15.42) | 160 | Natrolite | Na2[Al2Si3O10]·2(H2O) |
| 5.700(15.53) | 200 | 6.260(14.14) | 200 | 5.144(17.22) | 160 | Hingganite-(Yb) | (Yb,Y)2([ ])Be2Si2O8(OH)2 |
| 5.700(15.53) | 200 | 4.180(21.24) | 180 | 5.940(14.90) | 180 | Aphthitalite | (K,Na)3Na(SO4)2 |
| 5.700(15.53) | 200 | 6.160(14.37) | 160 | 9.100(9.71) | 80 | Wittichenite | Cu3BiS3 |
| 5.700(15.53) | 200 | 5.160(17.17) | 120 | 6.380(13.87) | 120 | Merrillite-(Ca) | (Ca,[ ])19Mg2(PO4)14 |
| 5.700(15.53) | 200 | 5.160(17.17) | 120 | 6.380(13.87) | 120 | Merrillite-(Y) | Ca16Y2Mg2(PO4)14 |
| 5.700(15.53) | 200 | 4.940(17.94) | 60 | 6.240(14.18) | 60 | Magnussonite | Mn++5As+++3O9(OH,Cl) |
| 5.702(15.53) | 200 | 6.854(12.91) | 160 | 7.078(12.50) | 160 | Benjaminite | (Ag,Cu)3(Bi,Pb)7S12 |
| 5.704(15.52) | 200 | 3.434(25.92) | 80 | 5.096(17.39) | 60 | Villamaninite | (Cu,Ni,Co,Fe)S2 |
| 5.706(15.52) | 200 | 6.254(14.15) | 130 | 5.980(14.80) | 118 | Eveslogite | (Ca,K,Na,Sr,Ba)48[(Ti,Nb,Fe,Mn)12(OH)12Si48O144](F,OH,Cl)14 |
| 5.706(15.52) | 200 | 4.028(22.05) | 160 | 6.580(13.45) | 160 | Schapbachite | AgBiS2 |
| 5.706(15.52) | 200 | 5.348(16.56) | 146 | 6.372(13.89) | 86 | Derbylite | (Fe+++,Fe++,Ti)7Sb+++O13(OH) |
| 5.706(15.52) | 200 | 5.550(15.96) | 170 | 6.864(12.89) | 90 | Aiolosite | Na4Bi(SO4)3Cl |
| 5.706(15.52) | 200 | 5.948(14.88) | 172 | 8.622(10.25) | 132 | Raslakite | Na15Ca3Fe3(Na,Zr)3Zr3(Si,Nb)(Si25O73)(OH,H2O)3(Cl,OH) |
| 5.708(15.51) | 200 | 6.168(14.35) | 180 | 5.852(15.13) | 130 | Fukalite | Ca4Si2O6(CO3)(OH,F)2 |
| 5.708(15.51) | 200 | 5.292(16.74) | 172 | 5.832(15.18) | 172 | Mottanaite-(Ce) | Ca4(Ce,Ca)2AlBe2[Si4B4O22]O2 |
| 5.708(15.51) | 200 | 5.954(14.87) | 162 | 8.620(10.25) | 138 | Feklichevite | Na11Ca9(Fe+++,Fe++)2Zr3Nb[Si25O73](OH,H2O,Cl,O)5 |
| 5.710(15.51) | 200 | 4.950(17.90) | 100 | 2.986(29.90) | 64 | Lead | Pb |
| 5.710(15.51) | 200 | 9.152(9.66) | 110 | 18.320(4.82) | 110 | Hopeite | Zn3(PO4)2·4(H2O) |
| 5.712(15.50) | 200 | 6.654(13.30) | 32 | 6.832(12.95) | 20 | Teallite | PbSnS2 |
| 5.712(15.50) | 200 | 6.040(14.65) | 200 | 20.220(4.37) | 170 | Iquiqueite | K3Na4Mg(Cr++++++O4)B24O39(OH)·12(H2O) |
| 5.714(15.49) | 200 | 7.386(11.97) | 170 | 10.110(8.74) | 150 | Malachite | Cu2(CO3)(OH)2 |
| 5.714(15.49) | 200 | 5.888(15.03) | 200 | 9.250(9.55) | 200 | Thomsonite-Ca | NaCa2Al5Si5O20·6(H2O) |
| 5.715(15.49) | 200 | 3.524(25.25) | 54 | 6.158(14.37) | 48 | Melilite | (Ca,Na)2(Al,Mg,Fe++)(Si,Al)2O7 |
| 5.716(15.49) | 200 | 4.364(20.33) | 180 | 3.204(27.82) | 140 | Ferroskutterudite | (Fe,Co)As3 |