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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 |
| 6.118(14.47) | 200 | 3.752(23.69) | 140 | 3.204(27.82) | 100 | Isocubanite | CuFe2S3 |
| 6.120(14.46) | 200 | 6.180(14.32) | 200 | 7.200(12.28) | 200 | Ziesite | Cu2V+++++2O7 |
| 6.120(14.46) | 200 | 12.318(7.17) | 180 | 8.652(10.22) | 160 | Mccrillisite | NaCs(Be,Li)Zr2(PO4)4·1-2(H2O) |
| 6.120(14.46) | 200 | 6.020(14.70) | 190 | 5.920(14.95) | 130 | Clinomimetite | Pb5(AsO4)3Cl |
| 6.120(14.46) | 200 | 4.480(19.80) | 80 | 7.180(12.32) | 80 | Nevskite | Bi(Se,S) |
| 6.120(14.46) | 200 | 6.280(14.09) | 42 | 5.918(14.96) | 40 | Senekevichite | CsKNaCa2TiO[Si7O18(OH)] |
| 6.120(14.46) | 200 | 16.540(5.34) | 160 | 6.540(13.53) | 140 | Gedrite | [ ]Mg5Al2Si6Al2O22(OH)2 |
| 6.120(14.46) | 200 | 5.216(16.98) | 180 | 10.880(8.12) | 160 | Canaphite | CaNa2P2O7·4(H2O) |
| 6.120(14.46) | 200 | 3.738(23.78) | 160 | 3.190(27.95) | 80 | Argentotennantite | (Ag,Cu)10(Zn,Fe)2(As,Sb)4S13 |
| 6.120(14.46) | 200 | 7.260(12.18) | 148 | 6.420(13.78) | 108 | Paderaite | Cu7((Cu,Ag)0.33Pb1.33Bi11.33)13S22 |
| 6.120(14.46) | 200 | 6.640(13.32) | 200 | 5.460(16.22) | 120 | Tungstibite | Sb2O3·WO3 |
| 6.120(14.46) | 200 | 9.960(8.87) | 200 | 4.140(21.45) | 180 | Ursilite | (Mg,Ca)4[(UO2)4(OH)5/(Si2O5)5.5]·13(H2O) |
| 6.120(14.46) | 200 | 5.700(15.53) | 150 | 6.520(13.57) | 140 | Brabantite | CaTh(PO4)2 |
| 6.120(14.46) | 200 | 4.230(20.98) | 100 | 6.700(13.20) | 80 | Saddlebackite | Pb2Bi2Te2S3 |
| 6.120(14.46) | 200 | 9.740(9.07) | 120 | 7.020(12.60) | 110 | Rowlandite-(Y) | Y4Fe++Si4O14F2 (?) |
| 6.120(14.46) | 200 | 6.000(14.75) | 180 | 5.480(16.16) | 150 | Rengeite | Sr4ZrTi4Si4O22 |
| 6.120(14.46) | 200 | 3.708(23.98) | 140 | 5.820(15.21) | 140 | Cervantite | Sb+++Sb+++++O4 |
| 6.120(14.46) | 200 | 3.740(23.77) | 160 | 3.190(27.95) | 120 | Renierite | (Cu,Zn)11(Ge,As)2Fe4S16 |
| 6.120(14.46) | 200 | 8.560(10.33) | 148 | 8.920(9.91) | 130 | Bernardite | Tl(As,Sb)5S8 |
| 6.120(14.46) | 200 | 4.330(20.49) | 140 | 7.080(12.49) | 60 | Clausthalite | PbSe |
| 6.120(14.46) | 200 | 9.240(9.56) | 180 | 4.960(17.87) | 80 | Pottsite | PbBiH(VO4)2·2(H2O) |
| 6.120(14.46) | 200 | 7.060(12.53) | 180 | 6.760(13.09) | 160 | Ganomalite | Pb9Ca5Mn++Si9O33 |
| 6.120(14.46) | 200 | 11.960(7.39) | 100 | 7.360(12.01) | 60 | Argentojarosite | AgFe+++3(SO4)2(OH)6 |
| 6.120(14.46) | 200 | 3.740(23.77) | 100 | 3.780(23.52) | 100 | Briartite | Cu2(Zn,Fe)GeS4 |
| 6.120(14.46) | 200 | 7.420(11.92) | 130 | 6.560(13.49) | 110 | Allactite | Mn7(AsO4)2(OH)8 |
| 6.120(14.46) | 200 | 4.260(20.83) | 60 | 5.900(15.00) | 60 | Alforsite | Ba5(PO4)3Cl |
| 6.120(14.46) | 200 | 5.680(15.59) | 180 | 9.200(9.61) | 60 | Lengenbachite | Pb6(Ag,Cu)2As4S13 |
| 6.120(14.46) | 200 | 6.020(14.70) | 190 | 5.920(14.95) | 130 | Mimetite | Pb5(AsO4)3Cl |
| 6.122(14.46) | 200 | 5.170(17.14) | 140 | 5.682(15.58) | 120 | Goedkenite | (Sr,Ca)2Al(PO4)2(OH) |
| 6.124(14.45) | 200 | 5.886(15.04) | 70 | 6.518(13.57) | 60 | Cuspidine | Ca4Si2O7(F,OH)2 |
| 6.124(14.45) | 200 | 5.170(17.14) | 180 | 6.884(12.85) | 120 | Trabzonite | Ca4Si3O10·2(H2O) |
| 6.125(14.45) | 200 | 6.129(14.44) | 200 | 5.460(16.22) | 178 | Dickinsonite-(KMnNa) | KNaMnNa3Ca(Mn,Fe,Mg)13Al(PO4)11(PO4)(OH,F)2 |
| 6.128(14.44) | 200 | 3.752(23.69) | 140 | 3.222(27.66) | 120 | Gallite | CuGaS2 |
| 6.128(14.44) | 200 | 6.696(13.21) | 160 | 9.308(9.49) | 160 | Rajite | CuTe++++2O5 |
| 6.130(14.44) | 200 | 5.714(15.49) | 180 | 8.324(10.62) | 160 | Monazite-(Sm) | SmPO4 |
| 6.130(14.44) | 200 | 6.294(14.06) | 152 | 5.096(17.39) | 58 | Ameghinite | NaB3O3(OH)4 |
| 6.132(14.43) | 200 | 3.866(22.99) | 110 | 5.092(17.40) | 24 | Tetrarooseveltite | BiAsO4 |
| 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) |
| 6.134(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 | 6.200(14.27) | 200 | 5.720(15.48) | 160 | Thoreaulite | Sn++Ta2O6 |
| 6.140(14.41) | 200 | 6.520(13.57) | 168 | 6.920(12.78) | 168 | Lithosite | K6Al4Si8O25·(H2O) |
| 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 | 6.620(13.36) | 200 | 7.180(12.32) | 200 | Polylithionite | KLi2AlSi4O10(F,OH)2 |
| 6.140(14.41) | 200 | 4.320(20.54) | 60 | 4.360(20.35) | 60 | Stistaite | SnSb |
| 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 | 3.780(23.52) | 160 | 3.200(27.86) | 120 | Mooihoekite | Cu9Fe9S16 |
| 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 | 11.920(7.41) | 180 | 7.340(12.05) | 120 | Kintoreite | PbFe+++3(PO4)2(OH,H2O)6 |
| 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 | 5.460(16.22) | 120 | 6.500(13.61) | 80 | Cuprobismutite | Cu10Bi12S23 |
| 6.140(14.41) | 200 | 3.760(23.64) | 160 | 3.780(23.52) | 120 | Haycockite | Cu4Fe5S8 |
| 6.140(14.41) | 200 | 3.686(24.12) | 140 | 5.500(16.10) | 100 | Hauerite | MnS2 |
| 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 | 6.602(13.40) | 90 | 5.394(16.42) | 50 | Fresnoite | Ba2TiSi2O8 |
| 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 | 7.182(12.31) | 120 | 4.550(19.49) | 120 | Vergasovaite | Cu3O[(Mo,S)O4][SO4] |
| 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 | 6.400(13.83) | 180 | 5.680(15.59) | 120 | Orickite | CuFeS2·(H2O) |
| 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 | 6.220(14.23) | 120 | 4.584(19.35) | 100 | Jarosite | KFe+++3(SO4)2(OH)6 |
| 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 | 5.160(17.17) | 180 | 5.780(15.32) | 120 | Stephanite | Ag5SbS4 |
| 6.160(14.37) | 200 | 3.776(23.54) | 160 | 6.320(14.00) | 140 | Polhemusite | (Zn,Hg)S |
| 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 | 3.774(23.55) | 140 | 3.224(27.65) | 100 | Ovamboite | Cu20(Fe,Cu,Zn)6W2Ge6S32 |
| 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 | 7.340(12.05) | 160 | 8.060(10.97) | 120 | Douglasite | K2Fe++Cl4·2(H2O) |
| 6.160(14.37) | 200 | 7.100(12.46) | 160 | 7.720(11.45) | 160 | Allochalcoselite | Cu+Cu++5PbO2(SeO3)2Cl5 |
| 6.160(14.37) | 200 | 6.520(13.57) | 200 | 4.966(17.85) | 160 | Blossite | Cu2V+++++2O7 |
| 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 | 7.160(12.35) | 200 | 8.400(10.52) | 200 | Dalyite | K2ZrSi6O15 |
| 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 | 11.980(7.37) | 160 | 7.340(12.05) | 140 | Beudantite | PbFe+++3(AsO4)(SO4)(OH)6 |
| 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 | 4.220(21.03) | 100 | 4.480(19.80) | 100 | Joseite | Bi4(S,Te)3 |
| 6.160(14.37) | 200 | 7.840(11.28) | 80 | 5.072(17.47) | 60 | Benstonite | (Ba,Sr)6(Ca,Mn)6Mg(CO3)13 |
| 6.161(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) |