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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 |
| 6.346(13.94) | 200 | 14.722(6.00) | 200 | 5.836(15.17) | 160 | Luddenite | Pb2Cu2Si5O14·14(H2O) |
| 6.348(13.94) | 200 | 5.836(15.17) | 76 | 3.460(25.73) | 42 | Paramelaconite | Cu+2Cu++2O3 |
| 6.348(13.94) | 200 | 4.214(21.06) | 188 | 7.364(12.01) | 160 | Sokolovaite | CsLi2AlSi4O10F2 |
| 6.350(13.93) | 200 | 6.186(14.31) | 114 | 6.166(14.35) | 110 | Labuntsovite-Mg | Na4K4(Ba,K)(Mg,Fe)1+xTi8(Si4O12)4(O,OH)8·10(H2O) |
| 6.350(13.93) | 200 | 3.316(26.86) | 90 | 3.888(22.85) | 88 | Walfordite | (Fe+++,Te++++++)Te++++3O8 |
| 6.352(13.93) | 200 | 6.422(13.78) | 60 | 7.504(11.78) | 60 | Albite | NaAlSi3O8 |
| 6.358(13.92) | 200 | 6.848(12.92) | 142 | 10.090(8.76) | 120 | IMA2008-056 | NaMn++Fe+++5(PO4)4(OH)6·2H2O |
| 6.360(13.91) | 200 | 5.769(15.35) | 140 | 7.380(11.98) | 60 | Friedrichbeckeite | K([ ],Na)Mg2(Be2Mg)Si12O30 |
| 6.360(13.91) | 200 | 3.270(27.25) | 160 | 2.980(29.96) | 120 | Queitite | Pb4Zn2(SiO4)(Si2O7)(SO4) |
| 6.360(13.91) | 200 | 2.530(35.45) | 160 | 3.898(22.79) | 140 | Tveitite-(Y) | Ca1-xYxF2+x, x~0.3 |
| 6.360(13.91) | 200 | 14.160(6.24) | 180 | 14.240(6.20) | 180 | Merlinoite | (K,Ca,Na,Ba)7Si23Al9O64·23(H2O) |
| 6.360(13.91) | 200 | 5.448(16.26) | 160 | 8.500(10.40) | 140 | Phosphoferrite | (Fe++,Mn)3(PO4)2·3(H2O) |
| 6.360(13.91) | 200 | 3.816(23.29) | 70 | 5.034(17.60) | 50 | Margarite | CaAl2(Al2Si2)O10(OH)2 |
| 6.360(13.91) | 200 | 8.040(11.00) | 180 | 7.600(11.63) | 160 | Orthoclase | KAlSi3O8 |
| 6.360(13.91) | 200 | 6.420(13.78) | 140 | 7.520(11.76) | 140 | Labradorite | (Ca,Na)(Si,Al)4O8 |
| 6.360(13.91) | 200 | 5.792(15.28) | 120 | 8.060(10.97) | 20 | Donpeacorite | (Mn,Mg)MgSi2O6 |
| 6.360(13.91) | 200 | 6.280(14.09) | 136 | 8.940(9.89) | 114 | Munakataite | Pb2Cu2(Se++++O3)(SO4)(OH)4 |
| 6.360(13.91) | 200 | 2.760(32.41) | 150 | 6.700(13.20) | 130 | Kyanite | Al2SiO5 = Al[6]Al[6]OSiO4 |
| 6.360(13.91) | 200 | 8.020(11.02) | 160 | 4.980(17.80) | 80 | Liandratite | U++++++(Nb,Ta)2O8 |
| 6.362(13.91) | 200 | 12.100(7.30) | 60 | 11.820(7.47) | 40 | Sassolite | H3BO3 |
| 6.362(13.91) | 200 | 5.716(15.49) | 116 | 3.428(25.97) | 64 | Bobdownsite | Ca9Mg(PO3F)(PO4)6 |
| 6.364(13.90) | 200 | 6.968(12.69) | 142 | 18.154(4.86) | 121 | Direnzoite | NaK6MgCa2(Al13Si47O120)·36H2O |
| 6.364(13.90) | 200 | 11.760(7.51) | 130 | 23.800(3.71) | 116 | Paravinogradovite | (Na,[ ])2(Ti,Fe+++)4(Si2O6)2(Si3AlO10)(OH)4·H2O |
| 6.366(13.90) | 200 | 7.080(12.49) | 180 | 5.796(15.27) | 160 | Barberiite | (NH4)BF4 |
| 6.372(13.89) | 200 | 19.200(4.60) | 120 | 7.034(12.57) | 90 | Neptunite | KNa2Li(Fe++,Mn)2Ti2Si8O24 |
| 6.372(13.89) | 200 | 6.602(13.40) | 150 | 17.120(5.16) | 150 | Richterite | Na(CaNa)(Mg,Fe++)5[Si8O22](OH)2 |
| 6.372(13.89) | 200 | 5.476(16.17) | 124 | 7.820(11.31) | 88 | Bussenite | Na2(Ba,Sr)2(Fe,Mn)TiSi2O7(CO3)(OH)3F |
| 6.372(13.89) | 200 | 6.200(14.27) | 192 | 13.880(6.36) | 122 | Lemmleinite-K | NaK2(Ti,Nb)2Si4O12(O,OH)2·2(H2O) |
| 6.374(13.88) | 200 | 5.452(16.24) | 180 | 5.576(15.88) | 160 | IMA2008-054 | NaCaMn2(PO4)[PO3(OH)]2 |
| 6.374(13.88) | 200 | 3.902(22.77) | 180 | 3.330(26.75) | 160 | Chameanite | (Cu,Fe)4As(Se,S)4 |
| 6.376(13.88) | 200 | 6.270(14.11) | 190 | 6.494(13.62) | 174 | Petitjeanite | Bi+++3(PO4)2O(OH) |
| 6.380(13.87) | 200 | 9.220(9.58) | 134 | 7.220(12.25) | 80 | Cancrinite | Na6Ca2Al6Si6O24(CO3)2 |
| 6.380(13.87) | 200 | 3.922(22.65) | 140 | 3.306(26.95) | 100 | Bambollaite | Cu(Se,Te)2 |
| 6.380(13.87) | 200 | 4.980(17.80) | 186 | 5.880(15.05) | 180 | Watatsumiite | Na2KMn2LiV2Si8O24 |
| 6.380(13.87) | 200 | 6.180(14.32) | 182 | 13.840(6.38) | 150 | Kuzmenkoite-Zn | K2Zn(Ti,Nb)4(Si4O12)2(OH,O)4·6-8(H2O) |
| 6.380(13.87) | 200 | 4.440(19.98) | 180 | 4.920(18.01) | 180 | Redledgeite | BaTi6Cr+++2O16·(H2O) |
| 6.380(13.87) | 200 | 7.300(12.11) | 180 | 3.978(22.33) | 140 | Guanajuatite | Bi2Se3 |
| 6.380(13.87) | 200 | 2.096(43.12) | 140 | 4.140(21.45) | 120 | Fluocerite-(La) | (La,Ce)F3 |
| 6.380(13.87) | 200 | 4.000(22.21) | 160 | 4.100(21.66) | 160 | Fluocerite-(Ce) | (Ce,La)F3 |
| 6.380(13.87) | 200 | 7.270(12.16) | 190 | 5.460(16.22) | 80 | Chrombismite | Bi16CrO27 |
| 6.380(13.87) | 200 | 6.680(13.24) | 146 | 8.740(10.11) | 134 | Mutnovskite | Pb2AsS3(I,Cl,Br) |
| 6.380(13.87) | 200 | 8.780(10.07) | 130 | 5.354(16.54) | 120 | Onoratoite | Sb8O11Cl2 |
| 6.380(13.87) | 200 | 5.280(16.78) | 160 | 13.280(6.65) | 100 | Fairchildite | K2Ca(CO3)2 |
| 6.380(13.87) | 200 | 8.280(10.68) | 120 | 4.722(18.78) | 80 | Olmiite | CaMn[SiO3(OH)](OH) |
| 6.382(13.86) | 200 | 6.762(13.08) | 170 | 7.230(12.23) | 80 | Frondelite | Mn++Fe+++4(PO4)3(OH)5 |
| 6.382(13.86) | 200 | 3.894(22.82) | 36 | 5.390(16.43) | 36 | Kusachiite | CuBi2O4 |
| 6.386(13.86) | 200 | 5.944(14.89) | 184 | 4.996(17.74) | 124 | Schneebergite | Bi(Co,Ni)2(AsO4)2(OH,H2O)2 |
| 6.386(13.86) | 200 | 6.906(12.81) | 200 | 7.286(12.14) | 180 | Jorgensenite | Na2(Sr,Ba)14Na2Al12F64(OH,F) |
| 6.386(13.86) | 200 | 6.740(13.12) | 180 | 22.080(4.00) | 180 | Sedovite | U(MoO4)2 |
| 6.388(13.85) | 200 | 12.780(6.91) | 200 | 6.100(14.51) | 160 | Lepkhenelmite-Zn | Ba2Zn(Ti,Nb)4(Si4O12)2(O,OH)4·7(H2O) |
| 6.388(13.85) | 200 | 6.480(13.65) | 200 | 4.312(20.58) | 160 | Bahianite | Al5Sb+++++3O14(OH)2 |
| 6.388(13.85) | 200 | 6.424(13.77) | 190 | 5.190(17.07) | 180 | Gwihabaite | (NH4,K)(NO3) |
| 6.390(13.85) | 200 | 12.788(6.91) | 126 | 5.082(17.44) | 76 | Arsenolite | As2O3 |
| 6.390(13.85) | 200 | 5.764(15.36) | 140 | 5.980(14.80) | 140 | Zimbabweite | Na(Pb,Na,K)2(Ta,Nb,Ti)4As+++4O18 |
| 6.390(13.85) | 200 | 11.806(7.48) | 128 | 6.730(13.14) | 112 | Clarkeite | (Na,Ca,Pb)(UO2)O(OH)·0-1(H2O) |
| 6.390(13.85) | 200 | 5.884(15.04) | 160 | 6.672(13.26) | 138 | IMA2009-024 | Pb6CuTe4O18(OH)2 |
| 6.392(13.84) | 200 | 7.146(12.38) | 100 | 9.684(9.12) | 100 | Rockbridgeite | (Fe++,Mn)Fe+++4(PO4)3(OH)5 |
| 6.392(13.84) | 200 | 5.960(14.85) | 144 | 3.404(26.16) | 114 | Nickelschneebergite | Bi(Ni,Co)2(AsO4)2(OH,H2O)2 |
| 6.392(13.84) | 200 | 6.320(14.00) | 194 | 5.944(14.89) | 162 | Versiliaite | Fe++4Fe+++8Sb+++12O23S2 |
| 6.396(13.83) | 200 | 8.324(10.62) | 88 | 6.936(12.75) | 72 | Lisetite | Na2CaAl4Si4O16 |
| 6.396(13.83) | 200 | 5.920(14.95) | 160 | 6.614(13.38) | 160 | Barysilite | Pb8Mn(Si2O7)3 |
| 6.400(13.83) | 200 | 6.480(13.65) | 200 | 6.060(14.61) | 18 | Keiviite-(Yb) | (Yb,Y)2Si2O7 |
| 6.400(13.83) | 200 | 7.500(11.79) | 160 | 8.060(10.97) | 160 | Bytownite | (Ca,Na)(Si,Al)4O8 |
| 6.400(13.83) | 200 | 12.600(7.01) | 180 | 19.000(4.65) | 180 | Satimolite | KNa2Al4(B2O5)3Cl3·13(H2O) |
| 6.400(13.83) | 200 | 5.760(15.37) | 180 | 7.300(12.11) | 80 | Haradaite | Sr4V++++4Si8O28 |
| 6.400(13.83) | 200 | 7.260(12.18) | 200 | 5.180(17.10) | 160 | Magbasite | KBa(Al,Sc)(Mg,Fe++)6Si6O20F2 |
| 6.400(13.83) | 200 | 5.474(16.18) | 160 | 8.560(10.33) | 140 | Reddingite | Mn++3(PO4)2·3(H2O) |
| 6.400(13.83) | 200 | 6.020(14.70) | 180 | 5.180(17.10) | 120 | Samsonite | Ag4MnSb2S6 |
| 6.400(13.83) | 200 | 6.360(13.91) | 150 | 8.080(10.94) | 120 | Anorthite | CaAl2Si2O8 |
| 6.400(13.83) | 200 | 5.400(16.40) | 100 | 6.100(14.51) | 36 | Manganolangbeinite | K2Mn2(SO4)3 |
| 6.400(13.83) | 200 | 7.038(12.57) | 160 | 9.758(9.06) | 140 | Bergslagite | CaBe(AsO4)(OH) |
| 6.400(13.83) | 200 | 7.480(11.82) | 160 | 8.040(11.00) | 160 | Oligoclase | (Na,Ca)(Si,Al)4O8 |
| 6.400(13.83) | 200 | 5.160(17.17) | 180 | 5.858(15.11) | 160 | Carminite | PbFe+++2(AsO4)2(OH)2 |
| 6.400(13.83) | 200 | 10.100(8.75) | 140 | 14.280(6.18) | 140 | Priderite | (K,Ba)(Ti,Fe+++)8O16 |
| 6.400(13.83) | 200 | 3.754(23.68) | 108 | 4.086(21.73) | 76 | Indite | Fe++In2S4 |
| 6.402(13.82) | 200 | 5.930(14.93) | 180 | 6.086(14.54) | 120 | Rosenhahnite | Ca3Si3O8[(OH)2-4x,(CO3)x] |
| 6.402(13.82) | 200 | 8.232(10.74) | 200 | 14.220(6.21) | 200 | Gobbinsite | (Na2,Ca)2K2Al6Si10O32·12(H2O) |
| 6.402(13.82) | 200 | 3.172(28.11) | 160 | 4.946(17.92) | 140 | Mannardite | BaTi6V+++2O16·(H2O) |
| 6.404(13.82) | 200 | 5.544(15.97) | 136 | 6.198(14.28) | 128 | Nickeltalmessite | Ca2Ni(AsO4)2·2H2O |
| 6.404(13.82) | 200 | 5.950(14.88) | 196 | 6.310(14.02) | 142 | Georgbarsanovite | Na12(Mn,Sr,REE)3Ca6Fe++3Zr3NbSi25O76Cl2·H2O |
| 6.404(13.82) | 200 | 3.178(28.05) | 140 | 4.952(17.90) | 140 | Ankangite | Ba(Ti,V+++,Cr+++)8O16 |
| 6.406(13.81) | 200 | 5.046(17.56) | 180 | 19.220(4.59) | 150 | Ephesite | NaLiAl2(Al2Si2)O10(OH)2 |
| 6.408(13.81) | 200 | 7.084(12.48) | 200 | 3.746(23.73) | 150 | Dachiardite-Ca | (Ca,Na2,K2)5Al10Si38O96·25(H2O) |
| 6.408(13.81) | 200 | 3.558(25.01) | 140 | 5.998(14.76) | 60 | Pseudograndreefite | Pb6SO4F1O |
| 6.410(13.80) | 200 | 12.814(6.89) | 114 | 5.270(16.81) | 108 | Gaylussite | Na2Ca(CO3)2·5(H2O) |
| 6.412(13.80) | 200 | 7.008(12.62) | 160 | 6.368(13.90) | 144 | Stronalsite | SrNa2Al4Si4O16 |
| 6.412(13.80) | 200 | 6.492(13.63) | 150 | 6.304(14.04) | 100 | Scorzalite | (Fe++,Mg)Al2(PO4)2(OH)2 |
| 6.412(13.80) | 200 | 10.060(8.78) | 160 | 3.984(22.30) | 90 | IMA2008-040 | BiMo2O7(OH)·2H2O |
| 6.412(13.80) | 200 | 5.848(15.14) | 140 | 7.288(12.13) | 120 | Cannonite | Bi2O(OH)2SO4 |
| 6.414(13.80) | 200 | 8.568(10.32) | 160 | 10.192(8.67) | 160 | Landesite | (Mn,Mg)9Fe+++3(PO4)8(OH)3·9(H2O) |
| 6.416(13.79) | 200 | 20.708(4.26) | 188 | 6.176(14.33) | 152 | Orthowalpurgite | (UO2)Bi4O4(AsO4)2·2(H2O) |
| 6.416(13.79) | 200 | 6.190(14.30) | 180 | 6.150(14.39) | 100 | Trolleite | Al4(PO4)3(OH)3 |
| 6.418(13.79) | 200 | 22.240(3.97) | 200 | 5.502(16.10) | 120 | Sterlinghillite | Mn++3(AsO4)2·3(H2O) |
| 6.420(13.78) | 200 | 14.320(6.17) | 200 | 14.360(6.15) | 200 | Phillipsite-Ca | (Ca,K,Na)1-2(Si,Al)8O16·6(H2O) |
| 6.420(13.78) | 200 | 10.280(8.59) | 200 | 5.020(17.65) | 180 | Paralaurionite | PbCl(OH) |
| 6.420(13.78) | 200 | 9.360(9.44) | 160 | 5.820(15.21) | 140 | Bushmakinite | Pb2Al(PO4)(VO4)(OH) |
| 6.420(13.78) | 200 | 8.040(11.00) | 200 | 5.020(17.65) | 160 | Petscheckite | U++++Fe++(Nb,Ta)2O8 |
| 6.420(13.78) | 200 | 6.360(13.91) | 180 | 8.080(10.94) | 160 | Andesine | (Na,Ca)(Si,Al)4O8 |
| 6.420(13.78) | 200 | 5.820(15.21) | 180 | 6.040(14.65) | 180 | Kanoite | (Mn++,Mg)2Si2O6 |
| 6.420(13.78) | 200 | 5.890(15.03) | 180 | 4.882(18.16) | 160 | Rusakovite | (Fe+++,Al)5(VO4,PO4)2(OH)9·3(H2O) |