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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 |
| 6.528(13.55) | 200 | 9.460(9.34) | 184 | 7.358(12.02) | 144 | Kyanoxalite | Na7(Al5-6Si6-7O24)(C2O4)0.5-1.0·5H2O |
| 6.530(13.55) | 200 | 4.376(20.28) | 142 | 13.452(6.57) | 138 | Chenguodaite | Ag9FeTe2S4 |
| 6.530(13.55) | 200 | 6.196(14.28) | 120 | 6.296(14.05) | 120 | Fairbankite | PbTe++++O3 |
| 6.532(13.54) | 200 | 6.876(12.86) | 170 | 10.780(8.20) | 160 | Leucite | KAlSi2O6 |
| 6.534(13.54) | 200 | 6.300(14.05) | 124 | 8.558(10.33) | 76 | Hechtsbergite | Bi2O(OH)(VO4) |
| 6.534(13.54) | 200 | 3.470(25.65) | 160 | 3.952(22.48) | 160 | Pirquitasite | Ag2ZnSnS4 |
| 6.534(13.54) | 200 | 5.040(17.58) | 142 | 8.722(10.13) | 102 | Xocolatlite | Ca2Mn++++2Te++++++2O12·H2O |
| 6.538(13.53) | 200 | 4.006(22.17) | 80 | 4.280(20.74) | 80 | Kukharenkoite-(Ce) | Ba2Ce(CO3)3F |
| 6.540(13.53) | 200 | 6.776(13.05) | 190 | 4.982(17.79) | 186 | Krettnichite | PbMn+++2(VO4)2(OH)2 |
| 6.540(13.53) | 200 | 8.020(11.02) | 200 | 3.996(22.23) | 160 | Kukharenkoite-(La) | Ba2(La,Ce)(CO3)3F |
| 6.540(13.53) | 200 | 4.700(18.87) | 100 | 7.820(11.31) | 80 | Kolarite | PbTeCl2 |
| 6.540(13.53) | 200 | 4.462(19.88) | 190 | 3.422(26.02) | 150 | Sellaite | MgF2 |
| 6.540(13.53) | 200 | 2.214(40.72) | 180 | 3.820(23.27) | 180 | Cadmoindite | CdIn2S4 |
| 6.540(13.53) | 200 | 5.844(15.15) | 180 | 7.480(11.82) | 160 | Meneghinite | Pb13CuSb7S24 |
| 6.540(13.53) | 200 | 9.540(9.26) | 200 | 12.780(6.91) | 150 | Pitiglianoite | Na6K2Si6Al6O24(SO4)·2(H2O) |
| 6.540(13.53) | 200 | 6.098(14.51) | 160 | 4.556(19.47) | 130 | Ferrobustamite | Ca(Fe++,Ca,Mn)Si2O6 |
| 6.540(13.53) | 200 | 8.020(11.02) | 156 | 6.480(13.65) | 84 | Zhonghuacerite-(Ce) | Ba2Ce(CO3)3F |
| 6.542(13.52) | 200 | 5.742(15.42) | 104 | 6.054(14.62) | 82 | Pezzottaite | Cs(Be2Li)Al2Si6O18 |
| 6.546(13.52) | 200 | 7.390(11.97) | 176 | 5.538(15.99) | 130 | Vishnevite | (Na,Ca,K)6(Si,Al)12O24[(SO4),(CO3),Cl2]2-4·n(H2O) |
| 6.546(13.52) | 200 | 18.580(4.75) | 160 | 9.240(9.56) | 100 | Taneyamalite | (Na,Ca)(Mn++,Mg)12[(Si,Al)6O17]2(O,OH)10 |
| 6.546(13.52) | 200 | 7.724(11.45) | 200 | 15.920(5.55) | 200 | Krautite | MnAs+++++O3(OH)2·(H2O) |
| 6.546(13.52) | 200 | 4.006(22.17) | 140 | 3.414(26.08) | 88 | Stilleite | ZnSe |
| 6.550(13.51) | 200 | 5.746(15.41) | 160 | 5.986(14.79) | 160 | Aurivilliusite | Hg+Hg++OI |
| 6.552(13.50) | 200 | 7.460(11.85) | 182 | 11.694(7.55) | 166 | IMA2008-067 | SiO2·n(CH4,C2H6,C3H8,C4H10); (nmax = 3/17) |
| 6.556(13.49) | 200 | 16.240(5.44) | 130 | 5.806(15.25) | 128 | Stoppaniite | (Fe,Al,Mg)4(Na,[ ])2[Be6Si12O36]·2(H2O) |
| 6.558(13.49) | 200 | 16.952(5.21) | 180 | 6.264(14.13) | 120 | Villyaellenite | Mn++5(AsO3OH)2(AsO4)2·4(H2O) |
| 6.558(13.49) | 200 | 5.052(17.54) | 120 | 8.846(9.99) | 80 | Lyonsite | Cu++3Fe+++4(VO4)6 |
| 6.560(13.49) | 200 | 6.280(14.09) | 146 | 7.080(12.49) | 62 | Pauflerite | VO(SO4) |
| 6.560(13.49) | 200 | 6.180(14.32) | 160 | 6.380(13.87) | 160 | Schumacherite | Bi3[(V,As,P)O4]2O(OH) |
| 6.560(13.49) | 200 | 6.980(12.67) | 200 | 7.200(12.28) | 200 | Iranite | Pb10Cu(CrO4)6(SiO4)2(F,OH)2 |
| 6.560(13.49) | 200 | 6.526(13.56) | 194 | 6.388(13.85) | 174 | Preisingerite | Bi3(AsO4)2O(OH) |
| 6.560(13.49) | 200 | 10.160(8.70) | 120 | 5.072(17.47) | 70 | Orthoericssonite | BaMn2(Fe+++O)Si2O7(OH) |
| 6.560(13.49) | 200 | 16.960(5.21) | 160 | 6.300(14.05) | 140 | Potassic-magnesiosadanagaite | (K,Na)Ca2(Mg,Fe++,Al,Ti)5[(Si,Al)8O22](OH)2 |
| 6.560(13.49) | 200 | 7.446(11.88) | 190 | 6.016(14.71) | 100 | Tellurite | TeO2 |
| 6.560(13.49) | 200 | 6.220(14.23) | 180 | 12.400(7.12) | 160 | Vinogradovite | (Na,K)4Ti4(Si,Al)8O26·3(H2O,Na) |
| 6.560(13.49) | 200 | 7.340(12.05) | 200 | 9.600(9.20) | 200 | Davyne | Na4K2Ca2Si6Al6O24(SO4)Cl2 |
| 6.560(13.49) | 200 | 8.814(10.03) | 200 | 8.500(10.40) | 160 | Wulfingite | Zn(OH)2 |
| 6.560(13.49) | 200 | 3.440(25.88) | 180 | 5.120(17.31) | 180 | Tripuhyite | Fe++Sb+++++O4 |
| 6.560(13.49) | 200 | 6.060(14.61) | 130 | 6.960(12.71) | 110 | Crocoite | PbCrO4 |
| 6.560(13.49) | 200 | 4.546(19.51) | 82 | 4.780(18.55) | 80 | Bismuth | Bi |
| 6.560(13.49) | 200 | 5.320(16.65) | 160 | 10.060(8.78) | 160 | Malayaite | CaSnSiO5 = CaSnOSiO4 |
| 6.564(13.48) | 200 | 6.990(12.65) | 160 | 7.888(11.21) | 100 | Lisitsynite | KBSi2O6 |
| 6.564(13.48) | 200 | 5.686(15.57) | 62 | 8.040(11.00) | 56 | Cliffordite | UTe3O9 |
| 6.568(13.47) | 200 | 5.994(14.77) | 160 | 4.892(18.12) | 120 | Dugganite | Pb3Zn3Te(As,V,Si)2(O,OH)14 |
| 6.578(13.45) | 200 | 9.100(9.71) | 116 | 6.524(13.56) | 70 | Changoite | Na2Zn(SO4)2·4(H2O) |
| 6.578(13.45) | 200 | 6.852(12.91) | 200 | 8.074(10.95) | 180 | Eztlite | Pb2Fe+++6(Te++++O3)3(Te++++++O6)(OH)10·8(H2O) |
| 6.580(13.45) | 200 | 6.000(14.75) | 160 | 3.806(23.35) | 100 | Kuksite | Pb3Zn3Te++++++O6(PO4)2 |
| 6.580(13.45) | 200 | 19.600(4.50) | 160 | 3.960(22.43) | 110 | Zinnwaldite | KLiFe++Al(AlSi3)O10(F,OH)2 |
| 6.580(13.45) | 200 | 3.850(23.08) | 180 | 7.680(11.51) | 80 | Shadlunite | (Pb,Cd)(Fe,Cu)8S8 |
| 6.580(13.45) | 200 | 3.402(26.17) | 160 | 6.760(13.09) | 120 | Umbozerite | Na3Sr4ThSi8(O,OH)24 |
| 6.580(13.45) | 200 | 3.406(26.14) | 160 | 4.824(18.38) | 160 | Tugarinovite | MoO2 |
| 6.580(13.45) | 200 | 6.000(14.75) | 180 | 7.560(11.70) | 180 | Cuprorivaite | CaCuSi4O10 |
| 6.580(13.45) | 200 | 7.740(11.42) | 200 | 9.620(9.19) | 180 | Halurgite | Mg2[B4O5(OH)4]2·(H2O) |
| 6.580(13.45) | 200 | 5.024(17.64) | 140 | 8.860(9.98) | 120 | Hafnon | HfSiO4 |
| 6.580(13.45) | 200 | 7.380(11.98) | 200 | 9.620(9.19) | 200 | Microsommite | (Na,Ca,K)7-8(Si,Al)12O24(Cl,SO4)2-3 |
| 6.582(13.44) | 200 | 5.228(16.95) | 160 | 6.078(14.56) | 150 | Maxwellite | NaFe+++(AsO4)F |
| 6.584(13.44) | 200 | 6.482(13.65) | 192 | 8.450(10.46) | 116 | Microcline | KAlSi3O8 |
| 6.586(13.43) | 200 | 3.385(26.31) | 90 | 4.927(17.99) | 84 | Pretulite | ScPO4 |
| 6.586(13.43) | 200 | 9.452(9.35) | 114 | 5.788(15.30) | 102 | Vauquelinite | Pb2Cu(CrO4)(PO4)(OH) |
| 6.590(13.42) | 200 | 5.850(15.13) | 150 | 8.860(9.98) | 110 | Nitromagnesite | Mg(NO3)2·6(H2O) |
| 6.592(13.42) | 200 | 5.618(15.76) | 160 | 5.890(15.03) | 80 | Diaphorite | Pb2Ag3Sb3S8 |
| 6.600(13.40) | 200 | 8.020(11.02) | 180 | 5.040(17.58) | 140 | Laurionite | PbCl(OH) |
| 6.600(13.40) | 200 | 6.000(14.75) | 180 | 3.214(27.73) | 120 | Cheremnykhite | Zn3Pb3Te++++O6(VO4)2 |
| 6.600(13.40) | 200 | 5.036(17.60) | 90 | 8.860(9.98) | 90 | Zircon | ZrSiO4 |
| 6.600(13.40) | 200 | 4.500(19.71) | 40 | 2.800(31.94) | 20 | Allophane | Al2O3·(SiO2)1.3-2·((H2O))2.5-3 |
| 6.600(13.40) | 200 | 5.440(16.28) | 120 | 7.560(11.70) | 120 | Kelyanite | (Hg+2)6(SbO6)BrCl2 |
| 6.600(13.40) | 200 | 6.546(13.52) | 194 | 3.524(25.25) | 82 | Kassite | CaTi2O4(OH)2 |
| 6.600(13.40) | 200 | 6.740(13.12) | 200 | 10.180(8.68) | 200 | Jungite | Ca2Zn4Fe+++8(PO4)9(OH)9·16(H2O) |
| 6.600(13.40) | 200 | 5.800(15.26) | 160 | 7.600(11.63) | 60 | Uchucchacuaite | AgPb3MnSb5S12 |
| 6.600(13.40) | 200 | 5.840(15.16) | 140 | 9.300(9.50) | 100 | Carnallite | KMgCl3·6(H2O) |
| 6.600(13.40) | 200 | 6.500(13.61) | 160 | 4.662(19.02) | 112 | Tinaksite | K2Na(Ca,Mn++)2(Ti,Fe)O[Si7O18(OH)] |
| 6.600(13.40) | 200 | 6.100(14.51) | 180 | 5.020(17.65) | 100 | Chiluite | Bi6Te++++++2Mo++++++2O21 |
| 6.600(13.40) | 200 | 5.800(15.26) | 160 | 6.900(12.82) | 80 | Andorite | PbAgSb3S6 |
| 6.600(13.40) | 200 | 5.522(16.04) | 160 | 5.810(15.24) | 160 | Paulmooreite | Pb2As+++2O5 |
| 6.604(13.40) | 200 | 6.220(14.23) | 138 | 6.326(13.99) | 138 | Hemihedrite | Pb10Zn(CrO4)6(SiO4)2F2 |
| 6.608(13.39) | 200 | 5.169(17.14) | 98 | 3.463(25.70) | 72 | Squawcreekite | (Fe+++,Sb+++++,W++++++)O4·(H2O) |
| 6.610(13.38) | 200 | 5.728(15.46) | 168 | 6.656(13.29) | 164 | Wallisite | PbTl(Cu,Ag)As2S5 |
| 6.614(13.38) | 200 | 5.760(15.37) | 180 | 8.320(10.62) | 130 | Milarite | K2Ca4Al2Be4Si24O60·(H2O) |
| 6.614(13.38) | 200 | 6.054(14.62) | 190 | 7.901(11.19) | 190 | Tinticite | Fe+++5(PO4,VO4)4·7(H2O) |
| 6.620(13.36) | 200 | 5.600(15.81) | 124 | 5.420(16.34) | 80 | Tokyoite | Ba2Mn(VO4)2(OH) |
| 6.620(13.36) | 200 | 6.260(14.14) | 172 | 5.860(15.11) | 168 | Wurtzite | (Zn,Fe)S |
| 6.620(13.36) | 200 | 7.420(11.92) | 200 | 9.700(9.11) | 140 | Quadridavyne | (Na,K)6Ca2Al6Si6O24Cl4 |
| 6.626(13.35) | 200 | 6.722(13.16) | 130 | 7.600(11.63) | 106 | Tazieffite | Pb20Cd2(As,Bi)22S50Cl10 |
| 6.628(13.35) | 200 | 7.660(11.54) | 170 | 7.040(12.56) | 160 | Wollastonite-3A-4A-5A-7A | CaSiO3 |
| 6.628(13.35) | 200 | 7.660(11.54) | 170 | 7.040(12.56) | 160 | Wollastonite-1A | CaSiO3 |
| 6.628(13.35) | 200 | 6.412(13.80) | 120 | 3.312(26.90) | 80 | Lipscombite | (Fe++,Mn)Fe+++2(PO4)2(OH)2 |
| 6.628(13.35) | 200 | 5.726(15.46) | 180 | 6.802(13.00) | 160 | Hatchite | (Pb,Tl)2AgAs2S5 |
| 6.636(13.33) | 200 | 6.682(13.24) | 200 | 3.616(24.60) | 140 | Argentopyrite | AgFe2S3 |
| 6.636(13.33) | 200 | 5.324(16.64) | 60 | 17.846(4.95) | 40 | Bonshtedtite | Na3Fe++(PO4)(CO3) |
| 6.638(13.33) | 200 | 6.990(12.65) | 200 | 14.240(6.20) | 200 | Rameauite | K2CaU++++++6O20·9(H2O) |
| 6.638(13.33) | 200 | 6.464(13.69) | 180 | 11.240(7.86) | 140 | Bamfordite | Fe+++Mo2O6(OH)3·(H2O) |
| 6.640(13.32) | 200 | 5.690(15.56) | 120 | 5.958(14.86) | 120 | Molybdofornacite | Pb2Cu[(As,P)O4][(Mo,Cr)O4](OH) |
| 6.640(13.32) | 200 | 20.200(4.37) | 144 | 6.700(13.20) | 130 | Masutomilite | K(Li,Al,Mn++)3[(Si,Al)4O10](F,OH)2 |
| 6.640(13.32) | 200 | 5.878(15.06) | 110 | 6.580(13.45) | 110 | Fizelyite | Pb14Ag5Sb21S48 (?) |
| 6.640(13.32) | 200 | 6.780(13.05) | 200 | 5.570(15.90) | 140 | Playfairite | Pb16Sb18S43 |
| 6.640(13.32) | 200 | 19.900(4.44) | 190 | 5.140(17.24) | 110 | Muscovite | KAl2(Si3Al)O10(OH,F)2 |
| 6.640(13.32) | 200 | 9.980(8.85) | 180 | 4.980(17.80) | 160 | Anandite | (Ba,K)(Fe++,Mg)3(Si,Al,Fe)4O10(S,OH)2 |
| 6.640(13.32) | 200 | 3.460(25.73) | 180 | 5.140(17.24) | 180 | Bystromite | MgSb2O6 |
| 6.640(13.32) | 200 | 3.824(23.24) | 170 | 5.140(17.24) | 130 | Kadyrelite | Hg4(Br,Cl)2O |
| 6.640(13.32) | 200 | 5.342(16.58) | 160 | 26.800(3.29) | 100 | Hyttsjoite | Pb18Ba2Ca5Mn++2Fe+++2Si30O90Cl·6(H2O) |