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 |
5.708(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 |
5.708(15.51) | 200 | 6.168(14.35) | 180 | 5.852(15.13) | 130 | Fukalite | Ca4Si2O6(CO3)(OH,F)2 |
5.710(15.51) | 200 | 9.152(9.66) | 110 | 18.320(4.82) | 110 | Hopeite | Zn3(PO4)2·4(H2O) |
5.710(15.51) | 200 | 4.950(17.90) | 100 | 2.986(29.90) | 64 | Lead | Pb |
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 | 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 | 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 | 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 | 1.866(48.76) | 160 | 4.040(21.98) | 160 | Kieftite | CoSb3 |
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 | 3.340(26.67) | 160 | 4.720(18.78) | 140 | Siegenite | (Ni,Co)3S4 |
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 | 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 | 5.280(16.78) | 60 | 5.860(15.11) | 60 | Braggite | (Pt,Pd,Ni)S |
5.720(15.48) | 200 | 3.940(22.55) | 80 | 4.100(21.66) | 80 | Breithauptite | NiSb |
5.720(15.48) | 200 | 6.040(14.65) | 60 | 2.088(43.30) | 40 | Butschliite | K2Ca(CO3)2 |
5.720(15.48) | 200 | 5.860(15.11) | 200 | 4.280(20.74) | 180 | Tyretskite | Ca2B5O9(OH)·(H2O) |
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 | 6.380(13.87) | 120 | 5.188(17.08) | 100 | Ferromerrillite | Ca9NaFe(PO4)7 |
5.720(15.48) | 200 | 3.240(27.51) | 180 | 7.540(11.73) | 160 | Perite | PbBiO2Cl |
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 | 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 | 4.020(22.09) | 120 | 3.620(24.57) | 60 | Rhodplumsite | Pb2Rh3S2 |
5.720(15.48) | 200 | 37.480(2.36) | 200 | 17.940(4.92) | 180 | Strashimirite | Cu8(AsO4)4(OH)4·5(H2O) |
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 | 6.320(14.00) | 150 | 19.040(4.64) | 120 | Syngenite | K2Ca(SO4)2·(H2O) |
5.720(15.48) | 200 | 4.060(21.87) | 160 | 6.860(12.89) | 140 | Incaite | Pb4Sn4FeSb2S15 |
5.720(15.48) | 200 | 11.580(7.63) | 140 | 8.700(10.16) | 100 | Mesolite | Na2Ca2Al6Si9O30·8(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 | 4.776(18.56) | 100 | 5.306(16.69) | 100 | Samfowlerite | Ca14Mn++3Zn2(Be,Zn)2Be6(SiO4)6(Si2O7)4(OH,F)6 |
5.726(15.46) | 200 | 6.980(12.67) | 200 | 5.416(16.35) | 120 | Beusite | (Mn++,Fe++,Ca,Mg)3(PO4)2 |
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 | 7.300(12.11) | 200 | 7.800(11.33) | 200 | Sahamalite-(Ce) | (Mg,Fe++)Ce2(CO3)4 |
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 | 6.180(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 | 6.100(14.51) | 180 | 6.520(13.57) | 140 | Triplite | (Mn,Fe++,Mg,Ca)2(PO4)(F,OH) |
5.740(15.42) | 200 | 5.360(16.53) | 120 | 6.260(14.14) | 80 | Paakkonenite | Sb2AsS2 |
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 | 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 |
5.740(15.42) | 200 | 3.520(25.28) | 60 | 6.180(14.32) | 60 | Akermanite | Ca2MgSi2O7 |
5.744(15.41) | 200 | 6.390(13.85) | 140 | 5.964(14.84) | 120 | Bustamite | (Mn,Ca)3Si3O9 |
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 | 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 |
5.754(15.39) | 200 | 7.948(11.12) | 56 | 3.756(23.67) | 52 | IMA2008-068 | Ca2Pb3(PO4)3F |
5.757(15.38) | 200 | 6.506(13.60) | 180 | 10.780(8.20) | 160 | Cervandonite-(Ce) | (Ce,Nd,La)(Fe+++,Fe++,Ti++++,Al)3(SiO7)1-x+y(AsO3)1+x-y(OH)3x-3y |
5.758(15.38) | 200 | 7.128(12.41) | 140 | 9.760(9.05) | 80 | Bastnasite-(Ce) | Ce(CO3)F |
5.758(15.38) | 200 | 6.714(13.18) | 120 | 6.254(14.15) | 100 | Iltisite | HgSAg(Cl,Br) |
5.760(15.37) | 200 | 5.960(14.85) | 200 | 6.620(13.36) | 200 | Fornacite | Pb2Cu(CrO4)(AsO4)(OH) |
5.760(15.37) | 200 | 5.900(15.00) | 160 | 5.560(15.93) | 80 | Iimoriite-(Y) | Y2(SiO4)(CO3) |
5.760(15.37) | 200 | 4.100(21.66) | 180 | 6.760(13.09) | 180 | Bursaite | Pb5Bi4S11 |
5.760(15.37) | 140 | 6.200(14.27) | 140 | 6.580(13.45) | 120 | Karnasurtite-(Ce) | (Ce,La,Th)(Ti,Nb)(Al,Fe+++)(Si,P)2O7(OH)4·3(H2O) (?) |
5.760(15.37) | 200 | 5.880(15.05) | 200 | 6.900(12.82) | 180 | Potosiite | Pb6Sn2FeSb2S14 |
5.760(15.37) | 200 | 6.460(13.70) | 200 | 5.200(17.04) | 160 | Arsendescloizite | PbZn(AsO4)(OH) |
5.760(15.37) | 200 | 5.404(16.39) | 160 | 5.272(16.80) | 140 | Quadruphite-VIII | Na14CaMgTi4(Si2O7)2(PO4)4O4F2 |
5.760(15.37) | 200 | 7.700(11.48) | 200 | 11.460(7.71) | 100 | Cylindrite | Pb3Sn4FeSb2S14 |
5.760(15.37) | 200 | 5.654(15.66) | 166 | 4.058(21.88) | 128 | Hilgardite | Ca2B5O9Cl·(H2O) |
5.760(15.37) | 200 | 9.620(9.19) | 180 | 5.200(17.04) | 160 | Gadolinite-(Ce) | (Ce,La,Nd,Y)2Fe++Be2Si2O10 |
5.760(15.37) | 200 | 5.404(16.39) | 160 | 5.272(16.80) | 140 | Quadruphite-VII | Na14CaMgTi4[Si2O7]2(PO4)4O4F2 |
5.760(15.37) | 200 | 5.960(14.85) | 190 | 6.340(13.96) | 120 | Clinoenstatite | Mg2Si2O6 |
5.760(15.37) | 200 | 7.120(12.42) | 140 | 9.760(9.05) | 80 | Bastnasite-(La) | La(CO3)F |
5.760(15.37) | 200 | 6.360(13.91) | 180 | 3.934(22.58) | 160 | Klockmannite | CuSe |
5.762(15.36) | 200 | 6.056(14.61) | 200 | 6.378(13.87) | 116 | Rustumite | Ca10(Si2O7)2(SiO4)Cl2(OH)2 |
5.764(15.36) | 200 | 11.600(7.61) | 142 | 12.160(7.26) | 100 | Perhamite | Ca3Al7(SiO4)3(PO4)4(OH)3·16.5(H2O) |
5.764(15.36) | 200 | 6.374(13.88) | 180 | 8.152(10.84) | 160 | Almarudite | K([ ],Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30] |
5.764(15.36) | 200 | 11.700(7.55) | 200 | 13.180(6.70) | 180 | Scolecite | CaAl2Si3O10·3(H2O) |
5.766(15.35) | 200 | 3.570(24.92) | 120 | 4.382(20.25) | 100 | Dolomite | CaMg(CO3)2 |
5.766(15.35) | 200 | 5.874(15.07) | 100 | 6.446(13.73) | 92 | Viitaniemiite | Na(Ca,Mn++)Al(PO4)(F,OH)3 |
5.768(15.35) | 200 | 5.652(15.67) | 180 | 11.540(7.65) | 140 | Sverigeite | NaMnMgSn++++Be2Si3O12(OH) |
5.768(15.35) | 200 | 5.794(15.28) | 200 | 7.180(12.32) | 174 | Belovite-(La) | (Sr,La,Ce,Ca)5(PO4)3(F,OH) |
5.770(15.34) | 200 | 6.286(14.08) | 180 | 5.350(16.56) | 180 | Tedhadleyite | Hg++Hg+10O4I2(Cl1.16Br0.84)2 |
5.772(15.34) | 200 | 4.082(21.75) | 110 | 3.334(26.72) | 32 | Bromargyrite | AgBr |
5.774(15.33) | 200 | 4.082(21.75) | 140 | 6.868(12.88) | 140 | Wittite | Pb3Bi4(S,Se)9 |
5.774(15.33) | 200 | 5.842(15.15) | 200 | 9.400(9.40) | 200 | Larderellite | (NH4)B5O6(OH)4 |
5.776(15.33) | 200 | 23.876(3.70) | 180 | 5.934(14.92) | 100 | Lalondeite | (Na,Ca)6(Ca,Na)3Si16O38(F,OH)2·3(H2O) |
5.776(15.33) | 200 | 6.037(14.66) | 168 | 5.776(15.33) | 96 | Selenopolybasite | [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2] |
5.779(15.32) | 200 | 6.822(12.97) | 180 | 6.590(13.42) | 176 | Heteromorphite | Pb7Sb8S19 |
5.780(15.32) | 200 | 5.620(15.76) | 180 | 6.440(13.74) | 100 | Lavenite | (Na,Ca)2(Mn,Fe++)(Zr,Ti,Nb)Si2O7(O,OH,F) |
5.780(15.32) | 200 | 7.980(11.08) | 200 | 14.500(6.09) | 160 | Stokesite | CaSnSi3O9·2(H2O) |
5.780(15.32) | 200 | 6.380(13.87) | 200 | 8.160(10.83) | 180 | Sogdianite | (K,Na)2(Li,Fe+++,Al)3ZrSi12O30 |