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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 |
| 6.128(14.44) | 200 | 6.696(13.21) | 160 | 9.308(9.49) | 160 | Rajite | CuTe++++2O5 |
| 6.128(14.44) | 200 | 3.752(23.69) | 140 | 3.222(27.66) | 120 | Gallite | CuGaS2 |
| 6.130(14.44) | 200 | 6.294(14.06) | 152 | 5.096(17.39) | 58 | Ameghinite | NaB3O3(OH)4 |
| 6.130(14.44) | 200 | 5.714(15.49) | 180 | 8.324(10.62) | 160 | Monazite-(Sm) | SmPO4 |
| 6.132(14.43) | 200 | 11.866(7.44) | 190 | 3.658(24.31) | 140 | Plumbojarosite | PbFe+++6(SO4)4(OH)12 |
| 6.132(14.43) | 200 | 4.484(19.78) | 140 | 7.166(12.34) | 100 | Nordstromite | Pb3CuBi7(S10Se4) |
| 6.132(14.43) | 200 | 3.866(22.99) | 110 | 5.092(17.40) | 24 | Tetrarooseveltite | BiAsO4 |
| 6.134(14.43) | 200 | 5.892(15.02) | 62 | 5.488(16.14) | 56 | Massicot | PbO |
| 6.134(14.43) | 200 | 4.040(21.98) | 160 | 3.820(23.27) | 156 | IMA2008-039 | (NH4)3PbCl5 |
| 6.136(14.42) | 200 | 14.700(6.01) | 180 | 20.580(4.29) | 160 | Goldichite | KFe+++(SO4)2·4(H2O) |
| 6.136(14.42) | 200 | 7.246(12.20) | 184 | 7.990(11.06) | 130 | Manganonaujakasite | Na6(Mn,Fe++ )Al4Si8O26 |
| 6.138(14.42) | 200 | 8.500(10.40) | 150 | 8.030(11.01) | 140 | Nepheline | (Na,K)AlSiO4 |
| 6.140(14.41) | 200 | 4.160(21.34) | 120 | 5.480(16.16) | 120 | Chambersite | Mn3B7O13Cl |
| 6.140(14.41) | 200 | 4.960(17.87) | 180 | 7.860(11.25) | 80 | Chalcothallite | (Cu,Fe)6Tl2SbS4 |
| 6.140(14.41) | 200 | 6.520(13.57) | 168 | 6.920(12.78) | 168 | Lithosite | K6Al4Si8O25·(H2O) |
| 6.140(14.41) | 200 | 6.200(14.27) | 200 | 5.720(15.48) | 160 | Thoreaulite | Sn++Ta2O6 |
| 6.140(14.41) | 200 | 11.920(7.41) | 180 | 7.340(12.05) | 120 | Kintoreite | PbFe+++3(PO4)2(OH,H2O)6 |
| 6.140(14.41) | 200 | 5.460(16.22) | 120 | 6.500(13.61) | 80 | Cuprobismutite | Cu10Bi12S23 |
| 6.140(14.41) | 200 | 5.720(15.48) | 180 | 6.520(13.57) | 180 | Cheralite-(Ce) | (Ce,Ca,Th)(P,Si)O4 |
| 6.140(14.41) | 200 | 3.760(23.64) | 160 | 3.780(23.52) | 120 | Haycockite | Cu4Fe5S8 |
| 6.140(14.41) | 200 | 4.320(20.54) | 60 | 4.360(20.35) | 60 | Stistaite | SnSb |
| 6.140(14.41) | 200 | 12.320(7.17) | 170 | 6.420(13.78) | 150 | Kalipyrochlore | (H2O,Sr)(Nb,Ti)(O,OH)6·(H2O,K) |
| 6.140(14.41) | 200 | 3.686(24.12) | 140 | 5.500(16.10) | 100 | Hauerite | MnS2 |
| 6.140(14.41) | 200 | 3.780(23.52) | 160 | 3.200(27.86) | 120 | Mooihoekite | Cu9Fe9S16 |
| 6.140(14.41) | 200 | 2.480(36.19) | 180 | 3.820(23.27) | 160 | Cuprotungstite | Cu++3(WO4)2(OH)2 |
| 6.140(14.41) | 200 | 6.620(13.36) | 200 | 7.180(12.32) | 200 | Polylithionite | KLi2AlSi4O10(F,OH)2 |
| 6.142(14.41) | 200 | 9.396(9.40) | 144 | 6.558(13.49) | 138 | Helmutwinklerite | PbZn2(AsO4)2·2(H2O) |
| 6.142(14.41) | 200 | 7.858(11.25) | 140 | 5.116(17.32) | 80 | Panunzite | (K,Na)AlSiO4 |
| 6.145(14.40) | 200 | 10.852(8.14) | 126 | 6.281(14.09) | 78 | Dovyrenite | Ca6Zr[Si2O7]2(OH)4 |
| 6.146(14.40) | 200 | 11.800(7.49) | 180 | 3.942(22.54) | 100 | Springcreekite | BaV+++3(PO4)2(OH,H2O)6 |
| 6.146(14.40) | 200 | 6.238(14.19) | 120 | 4.928(17.99) | 100 | IMA2009-016 | Cu4H(AsO4)2(OH)3·H2O |
| 6.148(14.39) | 200 | 4.180(21.24) | 160 | 4.534(19.56) | 140 | Skippenite | Bi2Se2(Te,S) |
| 6.148(14.39) | 200 | 6.384(13.86) | 200 | 5.412(16.37) | 80 | Gabrielsonite | PbFe++(AsO4)(OH) |
| 6.150(14.39) | 200 | 6.038(14.66) | 160 | 5.686(15.57) | 100 | Dervillite | Ag2AsS2 |
| 6.150(14.39) | 200 | 3.760(23.64) | 160 | 3.200(27.86) | 120 | Colusite | Cu12-13V(As,Sb,Sn,Ge)3S16 |
| 6.152(14.39) | 200 | 6.100(14.51) | 190 | 5.116(17.32) | 90 | Trikalsilite | (K,Na)AlSiO4 |
| 6.152(14.39) | 200 | 6.740(13.12) | 160 | 5.900(15.00) | 134 | Rebulite | Tl5Sb5As8S22 |
| 6.154(14.38) | 200 | 7.182(12.31) | 120 | 4.550(19.49) | 120 | Vergasovaite | Cu3O[(Mo,S)O4][SO4] |
| 6.154(14.38) | 200 | 4.800(18.47) | 80 | 6.242(14.18) | 60 | Attakolite | (Ca,Sr)Mn++(Al,Fe+++)4[(Si,P)O4]H(PO4)3(OH)4 |
| 6.154(14.38) | 200 | 4.062(21.86) | 100 | 5.910(14.98) | 100 | Nacareniobsite-(Ce) | NbNa3Ca3(Ce,La)(Si2O7)2OF3 |
| 6.154(14.38) | 200 | 6.602(13.40) | 90 | 5.394(16.42) | 50 | Fresnoite | Ba2TiSi2O8 |
| 6.156(14.38) | 200 | 5.976(14.81) | 150 | 5.920(14.95) | 80 | Tarapacaite | K2CrO4 |
| 6.156(14.38) | 200 | 24.600(3.59) | 70 | 12.316(7.17) | 50 | Delhayelite | (Na,K)10Ca5Al6Si32O80(Cl2,F2,SO4)3·18(H2O) |
| 6.160(14.37) | 200 | 7.840(11.28) | 80 | 5.072(17.47) | 60 | Benstonite | (Ba,Sr)6(Ca,Mn)6Mg(CO3)13 |
| 6.160(14.37) | 200 | 5.580(15.87) | 180 | 6.880(12.86) | 160 | Kalborsite | K6Al4Si6BO20(OH)4Cl |
| 6.160(14.37) | 200 | 5.560(15.93) | 180 | 18.400(4.80) | 180 | Hydroglauberite | Na4Ca(SO4)3·2(H2O) |
| 6.160(14.37) | 200 | 7.340(12.05) | 160 | 8.060(10.97) | 120 | Douglasite | K2Fe++Cl4·2(H2O) |
| 6.160(14.37) | 200 | 5.640(15.70) | 180 | 4.020(22.09) | 120 | Tornebohmite-(Ce) | (Ce,La,Nd)2Al(SiO4)2(OH) |
| 6.160(14.37) | 200 | 6.560(13.49) | 120 | 5.692(15.56) | 100 | Monazite-(Nd) | (Nd,Ce,La)(P,Si)O4 |
| 6.160(14.37) | 200 | 4.300(20.64) | 180 | 5.600(15.81) | 120 | Polkovicite | (Fe,Pb)3(Ge,Fe)1-xS4 |
| 6.160(14.37) | 200 | 4.300(20.64) | 180 | 5.600(15.81) | 120 | Morozeviczite | (Pb,Fe)3Ge1-xS4 |
| 6.160(14.37) | 200 | 6.220(14.23) | 120 | 4.584(19.35) | 100 | Jarosite | KFe+++3(SO4)2(OH)6 |
| 6.160(14.37) | 200 | 3.774(23.55) | 140 | 3.224(27.65) | 100 | Ovamboite | Cu20(Fe,Cu,Zn)6W2Ge6S32 |
| 6.160(14.37) | 200 | 3.776(23.54) | 160 | 6.320(14.00) | 140 | Polhemusite | (Zn,Hg)S |
| 6.160(14.37) | 200 | 3.282(27.15) | 160 | 5.814(15.23) | 160 | Canasite | (Na,K)6Ca5Si12O30(OH,F)4 |
| 6.160(14.37) | 200 | 6.520(13.57) | 200 | 4.966(17.85) | 160 | Blossite | Cu2V+++++2O7 |
| 6.160(14.37) | 200 | 5.876(15.07) | 140 | 5.280(16.78) | 120 | Megacyclite | Na8KSi9O18(OH)9·19(H2O) |
| 6.160(14.37) | 200 | 5.160(17.17) | 180 | 5.780(15.32) | 120 | Stephanite | Ag5SbS4 |
| 6.160(14.37) | 200 | 4.220(21.03) | 100 | 4.480(19.80) | 100 | Joseite | Bi4(S,Te)3 |
| 6.160(14.37) | 200 | 6.400(13.83) | 180 | 5.680(15.59) | 120 | Orickite | CuFeS2·(H2O) |
| 6.160(14.37) | 200 | 7.160(12.35) | 200 | 8.400(10.52) | 200 | Dalyite | K2ZrSi6O15 |
| 6.160(14.37) | 200 | 11.980(7.37) | 160 | 7.340(12.05) | 140 | Beudantite | PbFe+++3(AsO4)(SO4)(OH)6 |
| 6.160(14.37) | 200 | 7.100(12.46) | 160 | 7.720(11.45) | 160 | Allochalcoselite | Cu+Cu++5PbO2(SeO3)2Cl5 |
| 6.161(14.36) | 200 | 16.555(5.33) | 162 | 6.523(13.56) | 148 | Paulingite-Ca | (Ca,K,Na,Ba)5[Al10Si35O84]·34(H2O) |
| 6.161(14.36) | 200 | 16.555(5.33) | 162 | 6.523(13.56) | 148 | Paulingite-K | (K2,Ca,Na2,Ba)5Al10Si35O90·45(H2O) |
| 6.168(14.35) | 200 | 6.542(13.52) | 62 | 6.270(14.11) | 54 | Percleveite-(Ce) | (Ce,La,Nd)2Si2O7 |
| 6.170(14.34) | 200 | 5.656(15.65) | 100 | 5.394(16.42) | 80 | Xonotlite | Ca6Si6O17(OH)2 |
| 6.174(14.33) | 200 | 11.200(7.89) | 120 | 6.672(13.26) | 106 | Kostylevite | K2ZrSi3O9·(H2O) |
| 6.176(14.33) | 200 | 6.800(13.01) | 140 | 3.982(22.31) | 80 | Wolsendorfite | (Pb,Ba,Ca)U2O7·2(H2O) |
| 6.176(14.33) | 200 | 3.790(23.45) | 180 | 3.228(27.61) | 140 | Vinciennite | Cu10Fe4Sn(As,Sb)S16 |
| 6.178(14.32) | 200 | 8.720(10.14) | 128 | 6.258(14.14) | 120 | Palermoite | (Sr,Ca)(Li,Na)2Al4(PO4)4(OH)4 |
| 6.178(14.32) | 200 | 3.982(22.31) | 140 | 5.412(16.37) | 140 | Sabatierite | Cu4TlSe3 |
| 6.180(14.32) | 200 | 3.790(23.45) | 160 | 3.236(27.54) | 120 | Mawsonite | Cu+6Fe+++2Sn++++S8 |
| 6.180(14.32) | 200 | 4.240(20.93) | 120 | 4.500(19.71) | 80 | Aleksite | PbBi2Te2S2 (?) |
| 6.180(14.32) | 200 | 6.820(12.97) | 140 | 3.960(22.43) | 120 | Bauranoite | BaU2O7·4-5(H2O) |
| 6.180(14.32) | 200 | 3.788(23.47) | 160 | 3.234(27.56) | 120 | Nekrasovite | Cu+26V2(Sn,As,Sb)6S32 |
| 6.180(14.32) | 200 | 5.640(15.70) | 140 | 9.200(9.61) | 140 | Tornebohmite-(La) | (La,Ce)2Al(SiO4)2(OH) |
| 6.180(14.32) | 200 | 9.000(9.82) | 92 | 4.510(19.67) | 76 | Baksanite | Bi6Te2S3 |
| 6.180(14.32) | 200 | 5.186(17.08) | 60 | 4.262(20.82) | 50 | Kaliophilite | KAlSiO4 |
| 6.180(14.32) | 200 | 5.780(15.32) | 180 | 8.460(10.45) | 150 | Huttonite | ThSiO4 |
| 6.180(14.32) | 200 | 8.800(10.04) | 148 | 13.180(6.70) | 132 | Krausite | KFe+++(SO4)2·(H2O) |
| 6.180(14.32) | 200 | 6.320(14.00) | 200 | 11.400(7.75) | 120 | Ammonioborite | (NH4)2B10O16·5(H2O) |
| 6.180(14.32) | 200 | 12.358(7.15) | 180 | 6.482(13.65) | 80 | Radovanite | Cu2Fe+++(AsO4)[As+++O2(OH)2]·H2O |
| 6.180(14.32) | 200 | 4.420(20.07) | 100 | 4.660(19.03) | 60 | Volynskite | AgBiTe2 |
| 6.180(14.32) | 200 | 3.352(26.57) | 134 | 2.566(34.94) | 134 | Metacalciouranoite | (Ca,Na,Ba)U2O7·2(H2O) |
| 6.180(14.32) | 200 | 5.560(15.93) | 140 | 6.080(14.56) | 140 | Mendipite | Pb3Cl2O2 |
| 6.180(14.32) | 200 | 8.640(10.23) | 200 | 5.420(16.34) | 180 | Pharmacolite | CaHAsO4·2(H2O) |
| 6.180(14.32) | 200 | 16.460(5.36) | 200 | 6.440(13.74) | 160 | Marthozite | Cu[(UO2)3(SeO3)2O2]·8(H2O) |
| 6.180(14.32) | 200 | 5.362(16.52) | 140 | 17.620(5.01) | 140 | Bjarebyite | (Ba,Sr)(Mn++,Fe++,Mg)2Al2(PO4)3(OH)3 |
| 6.180(14.32) | 200 | 6.380(13.87) | 200 | 13.820(6.39) | 200 | Parakuzmenkoite-Fe | (K,Ba)2Fe(Ti,Nb)4(Si4O12)2(O,OH)4·7(H2O) |
| 6.180(14.32) | 200 | 5.224(16.96) | 140 | 2.480(36.19) | 120 | Megakalsilite | KAlSiO4 |
| 6.180(14.32) | 200 | 3.246(27.45) | 46 | 4.156(21.36) | 40 | Grattarolaite | Fe+++3O3(PO4) |
| 6.182(14.32) | 200 | 3.756(23.67) | 160 | 6.350(13.93) | 120 | Fettelite | [Ag6As2S7][Ag10HgAs2S8] |
| 6.184(14.31) | 200 | 6.608(13.39) | 186 | 13.620(6.48) | 134 | Coquandite | Sb6O8(SO4)·(H2O) |
| 6.184(14.31) | 200 | 11.932(7.40) | 100 | 7.356(12.02) | 80 | Segnitite | PbFe+++3H(AsO4)2(OH)6 |
| 6.186(14.31) | 200 | 6.334(13.97) | 200 | 3.318(26.85) | 140 | Howardevansite | NaCu++Fe+++2(VO4)3 |
| 6.186(14.31) | 200 | 6.174(14.33) | 138 | 6.360(13.91) | 110 | Uricite | C5H4N4O3 |
| 6.188(14.30) | 200 | 5.830(15.18) | 160 | 5.298(16.72) | 140 | Penikisite | BaMg2Al2(PO4)3(OH)3 |
| 6.190(14.30) | 200 | 6.164(14.36) | 190 | 6.240(14.18) | 60 | Clinobisvanite | BiVO4 |
| 6.192(14.29) | 200 | 3.556(25.02) | 180 | 4.668(19.00) | 140 | Orebroite-III | Mn++6(Fe+++,Sb+++++)2Si2(O,OH)14 |