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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 |
| 5.684(15.58) | 200 | 6.236(14.19) | 180 | 5.188(17.08) | 100 | Conichalcite | CaCu(AsO4)(OH) |
| 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 |
| 5.686(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 | 6.178(14.32) | 172 | 5.268(16.82) | 168 | Ciprianiite | Ca4[(Th,U)(REE)]2(Al,[ ])2[Si4B4O22](OH,F)2 |
| 5.692(15.56) | 200 | 4.026(22.06) | 140 | 3.288(27.10) | 42 | Oldhamite | (Ca,Mg,Fe)S |
| 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 | 6.928(12.77) | 200 | 7.188(12.30) | 180 | Pavonite | (Ag,Cu)(Bi,Pb)3S5 |
| 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 |
| 5.700(15.53) | 200 | 11.780(7.50) | 170 | 5.740(15.42) | 160 | Natrolite | Na2[Al2Si3O10]·2(H2O) |
| 5.700(15.53) | 200 | 3.348(26.60) | 160 | 3.640(24.43) | 120 | Violarite | Fe++Ni+++2S4 |
| 5.700(15.53) | 200 | 7.700(11.48) | 160 | 11.940(7.40) | 120 | Wadeite | K2ZrSi3O9 |
| 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 | 5.680(15.59) | 160 | 6.180(14.32) | 100 | Balyakinite | CuTeO3 |
| 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 | 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 | 6.160(14.37) | 160 | 9.100(9.71) | 80 | Wittichenite | Cu3BiS3 |
| 5.700(15.53) | 200 | 6.970(12.69) | 100 | 7.260(12.18) | 100 | Makovickyite | Ag1.5Bi5.5S9 |
| 5.700(15.53) | 200 | 4.200(21.14) | 160 | 3.160(28.22) | 140 | Shuangfengite | IrTe2 |
| 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 | 5.160(17.17) | 120 | 6.380(13.87) | 120 | Merrillite | Ca18Na2Mg2(PO4)14 |
| 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 | 6.300(14.05) | 140 | 5.560(15.93) | 120 | Fluorcalciobritholite | (Ca,REE)5[(Si,P)O4]3F |
| 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 | 4.940(17.94) | 60 | 6.240(14.18) | 60 | Magnussonite | Mn++5As+++3O9(OH,Cl) |
| 5.700(15.53) | 200 | 5.160(17.17) | 120 | 6.380(13.87) | 120 | Merrillite-(Y) | Ca16Y2Mg2(PO4)14 |
| 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 | 5.948(14.88) | 172 | 8.622(10.25) | 132 | Raslakite | Na15Ca3Fe3(Na,Zr)3Zr3(Si,Nb)(Si25O73)(OH,H2O)3(Cl,OH) |
| 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 | 5.348(16.56) | 146 | 6.372(13.89) | 86 | Derbylite | (Fe+++,Fe++,Ti)7Sb+++O13(OH) |
| 5.706(15.52) | 200 | 4.028(22.05) | 160 | 6.580(13.45) | 160 | Schapbachite | AgBiS2 |
| 5.706(15.52) | 200 | 5.550(15.96) | 170 | 6.864(12.89) | 90 | Aiolosite | Na4Bi(SO4)3Cl |
| 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 |
| 5.708(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 | 6.168(14.35) | 180 | 5.852(15.13) | 130 | Fukalite | Ca4Si2O6(CO3)(OH,F)2 |
| 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 | 6.040(14.65) | 200 | 20.220(4.37) | 170 | Iquiqueite | K3Na4Mg(Cr++++++O4)B24O39(OH)·12(H2O) |
| 5.712(15.50) | 200 | 6.654(13.30) | 32 | 6.832(12.95) | 20 | Teallite | PbSnS2 |
| 5.714(15.49) | 200 | 5.888(15.03) | 200 | 9.250(9.55) | 200 | Thomsonite-Ca | NaCa2Al5Si5O20·6(H2O) |
| 5.714(15.49) | 200 | 7.386(11.97) | 170 | 10.110(8.74) | 150 | Malachite | Cu2(CO3)(OH)2 |
| 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 | 2.978(29.98) | 160 | 3.492(25.49) | 160 | Murataite | (Y,Na)6(Zn,Fe+++)5(Ti,Nb)12O29(O,F)14 |
| 5.716(15.49) | 200 | 4.364(20.33) | 180 | 3.204(27.82) | 140 | Ferroskutterudite | (Fe,Co)As3 |
| 5.718(15.48) | 200 | 4.912(18.04) | 64 | 6.150(14.39) | 50 | Alumoakermanite | (Ca,Na)2(Al,Mg,Fe++)(Si2O7) |
| 5.718(15.48) | 200 | 5.614(15.77) | 140 | 6.468(13.68) | 60 | Normandite | NaCa(Mn++,Fe++)(Ti,Nb,Zr)Si2O7(O,F)2 |
| 5.720(15.48) | 200 | 3.240(27.51) | 180 | 7.540(11.73) | 160 | Perite | PbBiO2Cl |
| 5.720(15.48) | 200 | 5.860(15.11) | 200 | 4.280(20.74) | 180 | Tyretskite | Ca2B5O9(OH)·(H2O) |
| 5.720(15.48) | 200 | 3.348(26.60) | 160 | 3.650(24.37) | 120 | Carrollite | Cu(Co,Ni)2S4 |
| 5.720(15.48) | 200 | 18.680(4.73) | 140 | 10.000(8.84) | 120 | Wilhelmvierlingite | CaMn++Fe+++(PO4)2(OH)·2(H2O) |
| 5.720(15.48) | 200 | 6.040(14.65) | 60 | 2.088(43.30) | 40 | Butschliite | K2Ca(CO3)2 |
| 5.720(15.48) | 200 | 5.500(16.10) | 120 | 6.980(12.67) | 100 | Fermorite | (Ca,Sr)5(AsO4,PO4)3(OH) |
| 5.720(15.48) | 200 | 4.680(18.95) | 180 | 8.040(11.00) | 140 | Parkerite | Ni3(Bi,Pb)2S2 |
| 5.720(15.48) | 200 | 3.118(28.61) | 180 | 6.520(13.57) | 160 | Turtmannite | (Mn,Mg)25.5[(V,As)O4]3(SiO4)3[AsO3]xO5-5x(OH)20+x |
| 5.720(15.48) | 200 | 6.060(14.61) | 180 | 6.400(13.83) | 140 | Zwieselite | (Fe++,Mn)2(PO4)F |
| 5.720(15.48) | 200 | 3.940(22.55) | 80 | 4.100(21.66) | 80 | Breithauptite | NiSb |
| 5.720(15.48) | 200 | 5.280(16.78) | 60 | 5.860(15.11) | 60 | Braggite | (Pt,Pd,Ni)S |
| 5.720(15.48) | 200 | 4.060(21.87) | 160 | 6.860(12.89) | 140 | Incaite | Pb4Sn4FeSb2S15 |
| 5.720(15.48) | 200 | 7.000(12.64) | 180 | 5.430(16.31) | 140 | Graftonite | (Fe++,Mn,Ca)3(PO4)2 |
| 5.720(15.48) | 200 | 6.320(14.00) | 150 | 19.040(4.64) | 120 | Syngenite | K2Ca(SO4)2·(H2O) |
| 5.720(15.48) | 200 | 18.600(4.75) | 160 | 9.960(8.87) | 100 | Keckite | Ca(Mn,Zn)2Fe+++3(PO4)4(OH)3·2(H2O) |
| 5.720(15.48) | 200 | 5.960(14.85) | 200 | 6.860(12.89) | 180 | Taseqite | Na12Sr3Ca6Fe3Zr3NbSi25O73(O,OH,H2O)3Cl2 |
| 5.720(15.48) | 200 | 4.020(22.09) | 120 | 3.620(24.57) | 60 | Rhodplumsite | Pb2Rh3S2 |
| 5.720(15.48) | 200 | 5.900(15.00) | 200 | 3.528(25.22) | 160 | Nordite-(La) | (Na,Mn)3(Sr,Ca)(La,Ce)(Zn,Mg)Si6O17 |
| 5.720(15.48) | 200 | 3.340(26.67) | 160 | 4.720(18.78) | 140 | Siegenite | (Ni,Co)3S4 |
| 5.720(15.48) | 200 | 6.380(13.87) | 120 | 5.188(17.08) | 100 | Ferromerrillite | Ca9NaFe(PO4)7 |
| 5.720(15.48) | 200 | 1.866(48.76) | 160 | 4.040(21.98) | 160 | Kieftite | CoSb3 |
| 5.720(15.48) | 200 | 5.920(14.95) | 180 | 6.120(14.46) | 180 | Latiumite | (Ca,K)8(Al,Mg,Fe)(Si,Al)10O25(SO4) |
| 5.720(15.48) | 200 | 5.820(15.21) | 200 | 5.220(16.97) | 160 | Vysotskite | (Pd,Ni)S |
| 5.720(15.48) | 200 | 11.580(7.63) | 140 | 8.700(10.16) | 100 | Mesolite | Na2Ca2Al6Si9O30·8(H2O) |
| 5.720(15.48) | 200 | 37.480(2.36) | 200 | 17.940(4.92) | 180 | Strashimirite | Cu8(AsO4)4(OH)4·5(H2O) |
| 5.722(15.47) | 200 | 6.904(12.81) | 180 | 7.156(12.36) | 116 | IMA2008-058 | Ag5Bi13S22 |
| 5.724(15.47) | 200 | 6.156(14.38) | 160 | 3.926(22.63) | 100 | Monazite-(Ce) | (Ce,La,Nd,Th)PO4 |
| 5.726(15.46) | 200 | 6.980(12.67) | 200 | 5.416(16.35) | 120 | Beusite | (Mn++,Fe++,Ca,Mg)3(PO4)2 |
| 5.726(15.46) | 200 | 4.776(18.56) | 100 | 5.306(16.69) | 100 | Samfowlerite | Ca14Mn++3Zn2(Be,Zn)2Be6(SiO4)6(Si2O7)4(OH,F)6 |
| 5.732(15.45) | 200 | 6.766(13.07) | 150 | 5.662(15.64) | 144 | Loveringite | (Ca,Ce)(Ti,Fe+++,Cr,Mg)21O38 |
| 5.734(15.44) | 200 | 7.470(11.84) | 192 | 6.694(13.22) | 168 | IMA2008-053 | Cu7Pb27Bi25S68 |
| 5.734(15.44) | 200 | 8.774(10.07) | 100 | 13.098(6.74) | 100 | Tetranatrolite | Na2[Al2Si3O10]·2(H2O) |
| 5.734(15.44) | 200 | 6.508(13.59) | 190 | 15.960(5.53) | 180 | Beryl | Be3Al2Si6O18 |
| 5.736(15.43) | 200 | 6.170(14.34) | 120 | 7.422(11.91) | 100 | Hardystonite | Ca2ZnSi2O7 |
| 5.736(15.43) | 200 | 4.060(21.87) | 180 | 4.690(18.91) | 150 | Elpasolite | K2NaAlF6 |
| 5.738(15.43) | 200 | 5.930(14.93) | 160 | 23.640(3.73) | 110 | Hodgkinsonite | MnZn2SiO4(OH)2 |
| 5.740(15.42) | 200 | 5.372(16.49) | 100 | 6.060(14.61) | 60 | Caryinite | (Na,Pb)(Ca,Na)(Ca,Mn++)(Mn++,Mg)2(AsO4)3 |
| 5.740(15.42) | 200 | 6.100(14.51) | 180 | 6.520(13.57) | 140 | Triplite | (Mn,Fe++,Mg,Ca)2(PO4)(F,OH) |
| 5.740(15.42) | 200 | 6.180(14.32) | 200 | 8.400(10.52) | 140 | Steenstrupine-(Ce) | Na14Ce6Mn++Mn+++Fe++2(Zr,Th)(Si6O18)2(PO4)7·3(H2O) |
| 5.740(15.42) | 200 | 6.000(14.75) | 180 | 6.560(13.49) | 90 | Hiortdahlite | (Ca,Na,Y)3(Zr,Ti)Si2O7(F,O,OH)2 |
| 5.740(15.42) | 200 | 5.360(16.53) | 120 | 6.260(14.14) | 80 | Paakkonenite | Sb2AsS2 |
| 5.740(15.42) | 200 | 3.520(25.28) | 60 | 6.180(14.32) | 60 | Akermanite | Ca2MgSi2O7 |
| 5.740(15.42) | 200 | 7.300(12.11) | 200 | 7.800(11.33) | 200 | Sahamalite-(Ce) | (Mg,Fe++)Ce2(CO3)4 |
| 5.740(15.42) | 200 | 3.800(23.39) | 160 | 3.996(22.23) | 160 | Belovite-(Ce) | (Sr,Ce,Na,Ca)5(PO4)3(OH) |
| 5.740(15.42) | 200 | 7.400(11.95) | 140 | 5.250(16.87) | 120 | Antimonselite | Sb2Se3 |
| 5.744(15.41) | 200 | 23.020(3.84) | 200 | 6.130(14.44) | 94 | Tuscanite | K(Ca,Na)6(Si,Al)10O22(SO4,CO3,(OH)2)·(H2O) |
| 5.744(15.41) | 200 | 6.390(13.85) | 140 | 5.964(14.84) | 120 | Bustamite | (Mn,Ca)3Si3O9 |
| 5.744(15.41) | 200 | 5.658(15.65) | 156 | 20.722(4.26) | 138 | Chloroxiphite | Pb3CuCl2(OH)2O2 |
| 5.748(15.40) | 200 | 4.408(20.13) | 180 | 8.580(10.30) | 180 | Papagoite | CaCuAlSi2O6(OH)3 |
| 5.752(15.39) | 200 | 4.136(21.47) | 120 | 8.680(10.18) | 80 | Coiraite | (Pb,Sn)12.5As3Sn5FeS28 |