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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 |
| 5.910(14.98) | 200 | 8.720(10.14) | 184 | 7.410(11.93) | 180 | Ancylite-(La) | Sr(La,Ce)(CO3)2(OH)·(H2O) |
| 5.910(14.98) | 200 | 3.070(29.06) | 180 | 3.446(25.83) | 180 | Columbite-(Mg) | (Mg,Fe++,Mn)(Nb,Ta)2O6 |
| 5.912(14.97) | 200 | 5.512(16.07) | 188 | 5.512(16.07) | 174 | Manganvesuvianite | Ca19Mn+++(Al,Mn+++,Fe+++)10(Mg,Mn++)2Si18O69(OH)9 |
| 5.914(14.97) | 200 | 3.254(27.39) | 120 | 5.504(16.09) | 120 | Asisite | Pb12(SiO4)O8Cl4 |
| 5.914(14.97) | 200 | 5.980(14.80) | 160 | 4.130(21.50) | 140 | Pyromorphite | Pb5(PO4)3Cl |
| 5.916(14.96) | 200 | 9.700(9.11) | 180 | 9.820(9.00) | 168 | Meridianiite | MgSO4·11H2O |
| 5.916(14.96) | 200 | 5.740(15.42) | 130 | 5.022(17.65) | 80 | Kosmochlor | NaCr+++Si2O6 |
| 5.916(14.96) | 200 | 6.940(12.74) | 80 | 6.620(13.36) | 76 | Cerite-(La) | (La,Ce,Ca)9(Mg,Fe+++)(SiO4)6[SiO3(OH)](OH)3 |
| 5.918(14.96) | 200 | 9.802(9.01) | 184 | 5.950(14.88) | 94 | Minamiite | (Na,Ca,K)Al3(SO4)2(OH)6 |
| 5.918(14.96) | 200 | 4.172(21.28) | 100 | 4.202(21.13) | 100 | Jonassonite | Au(Bi,Pb)5S4 |
| 5.918(14.96) | 200 | 3.674(24.20) | 180 | 6.356(13.92) | 180 | Lapieite | CuNiSbS3 |
| 5.918(14.96) | 200 | 10.020(8.82) | 140 | 8.660(10.21) | 80 | Ferrisicklerite | Li(Fe+++,Mn++)PO4 |
| 5.918(14.96) | 200 | 3.806(23.35) | 180 | 7.028(12.58) | 180 | Kemmlitzite | (Sr,Ce)Al3(AsO4)(SO4)(OH)6 |
| 5.918(14.96) | 200 | 3.060(29.16) | 100 | 3.962(22.42) | 70 | Stishovite | SiO2 |
| 5.920(14.95) | 200 | 6.100(14.51) | 200 | 7.880(11.22) | 200 | Catapleiite | (Na,Ca,[ ])2ZrSi3O9·2(H2O) |
| 5.920(14.95) | 200 | 5.940(14.90) | 160 | 5.840(15.16) | 140 | Nambulite | (Li,Na)Mn++4[Si5O14(OH)] |
| 5.920(14.95) | 200 | 7.320(12.08) | 100 | 3.442(25.86) | 40 | Tantalite-(Fe) | Fe++Ta2O6 |
| 5.920(14.95) | 200 | 17.760(4.97) | 130 | 8.860(9.98) | 90 | Katoptrite | (Mn,Mg)13(Al,Fe+++)4Sb+++++2Si2O28 |
| 5.920(14.95) | 200 | 11.860(7.45) | 180 | 3.620(24.57) | 160 | Stibiconite | Sb+++Sb+++++2O6(OH) |
| 5.920(14.95) | 200 | 7.920(11.16) | 180 | 5.340(16.59) | 140 | Cymrite | BaAl2Si2O8·(H2O) |
| 5.920(14.95) | 200 | 2.924(30.55) | 180 | 3.456(25.76) | 140 | Tantalite-(Mg) | (Mg,Fe)(Ta,Nb)2O6 |
| 5.920(14.95) | 200 | 6.840(12.93) | 180 | 6.480(13.65) | 140 | Thalfenisite | Tl6(Fe,Ni,Cu)25S26Cl |
| 5.920(14.95) | 200 | 6.700(13.20) | 150 | 6.740(13.12) | 140 | Monetite | CaHPO4 |
| 5.920(14.95) | 200 | 9.800(9.02) | 150 | 5.940(14.90) | 140 | Natroalunite | NaAl3(SO4)2(OH)6 |
| 5.920(14.95) | 200 | 4.560(19.45) | 180 | 5.280(16.78) | 180 | Selenostephanite | Ag5Sb(Se,S)4 |
| 5.920(14.95) | 200 | 30.800(2.87) | 100 | 7.020(12.60) | 80 | Traskite | (Ba,Ca)9(Fe++,Mn)2Ti2(SiO3)12(OH,Cl,F)6·6(H2O) |
| 5.920(14.95) | 200 | 3.628(24.52) | 90 | 3.092(28.85) | 80 | Betafite | (Ca,U)2(Ti,Nb,Ta)2O6(OH) |
| 5.920(14.95) | 200 | 4.118(21.56) | 172 | 6.988(12.66) | 130 | Proudite | Cu1.9Ag0.1Pb15.6Bi20.4Sb0.1S32.4Se14.5 |
| 5.920(14.95) | 200 | 6.060(14.61) | 200 | 3.100(28.77) | 120 | Nioboaeschynite-(Ce) | (Ce,Ca)(Nb,Ti)2(O,OH)6 |
| 5.920(14.95) | 200 | 7.400(11.95) | 180 | 6.960(12.71) | 100 | Coeruleolactite | (Ca,Cu)Al6(PO4)4(OH)8·4-5(H2O) |
| 5.920(14.95) | 200 | 9.840(8.98) | 140 | 5.960(14.85) | 100 | Schlossmacherite | (H3O,Ca)Al3(AsO4,SO4)2(OH)6 |
| 5.920(14.95) | 200 | 5.640(15.70) | 130 | 10.680(8.27) | 130 | Perrierite-(Ce) | (Ce,La,Ca)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22 |
| 5.920(14.95) | 200 | 7.420(11.92) | 200 | 8.680(10.18) | 200 | Ancylite-(Ce) | SrCe(CO3)2(OH)·(H2O) |
| 5.920(14.95) | 200 | 5.980(14.80) | 200 | 11.244(7.86) | 130 | Biehlite | (Sb,As)2MoO6 |
| 5.920(14.95) | 200 | 6.080(14.56) | 140 | 6.320(14.00) | 120 | Calcjarlite | Na(Ca,Sr)3Al3(F,OH)16 |
| 5.920(14.95) | 200 | 6.120(14.46) | 160 | 7.920(11.16) | 160 | Calciocatapleiite | (Ca,[ ])ZrSi3O9·2(H2O) |
| 5.920(14.95) | 200 | 3.546(25.09) | 160 | 7.300(12.11) | 140 | Qitianlingite | Fe++2Nb2W++++++O10 |
| 5.920(14.95) | 200 | 2.900(30.81) | 160 | 3.444(25.85) | 160 | Lithiotantite | Li(Ta,Nb)3O8 |
| 5.922(14.95) | 200 | 5.440(16.28) | 140 | 7.740(11.42) | 140 | Okhotskite-(Mn++) | Ca2(Mn++,Mg)(Mn+++,Al,Fe+++)Si3O10(OH)4 |
| 5.922(14.95) | 200 | 6.240(14.18) | 200 | 7.092(12.47) | 160 | Petrovicite | PbHgCu3BiSe5 |
| 5.922(14.95) | 200 | 6.146(14.40) | 180 | 3.792(23.44) | 140 | Hainite | Na4Ca8(Ti,Zr,Mn,Fe)3Si8O28F8 |
| 5.924(14.94) | 200 | 4.732(18.74) | 140 | 5.090(17.41) | 120 | Natrite | Na2CO3 |
| 5.924(14.94) | 200 | 6.364(13.90) | 174 | 6.786(13.04) | 166 | Nickellotharmeyerite | Ca(Ni,Fe,Co)2(AsO4)2(OH,H2O)2 |
| 5.926(14.94) | 200 | 6.484(13.65) | 200 | 5.694(15.55) | 180 | Irhtemite | Ca4Mg(AsO3OH)2(AsO4)2·4(H2O) |
| 5.926(14.94) | 200 | 7.026(12.59) | 120 | 3.810(23.33) | 100 | Arsenoflorencite-(Ce) | (Ce,La)Al3(AsO4)2(OH)6 |
| 5.926(14.94) | 200 | 5.878(15.06) | 180 | 7.252(12.19) | 140 | Ferrotitanowodginite | Fe++TiTa2O8 |
| 5.926(14.94) | 200 | 3.432(25.94) | 140 | 7.282(12.14) | 140 | Wolframoixiolite | (Fe,Mn,Nb)(Nb,W,Ta)O4 |
| 5.928(14.93) | 200 | 5.688(15.57) | 178 | 22.696(3.89) | 88 | Oneillite | Na15Ca3Mn3Fe++3Zr3Nb(Si25O73)(O,OH,H2O)3(OH,Cl)2 |
| 5.928(14.93) | 200 | 5.678(15.59) | 180 | 3.540(25.14) | 120 | Dualite | Na30(Ca,Na,Ce,Sr)12(Na,Mn,Fe,Ti)6Zr3Ti3MnSi51O144(OH,H2O,Cl)9 |
| 5.930(14.93) | 200 | 5.154(17.19) | 180 | 4.086(21.73) | 160 | Uvite | (Ca,Na)(Mg,Fe++)3Al5Mg(BO3)3Si6O18(OH,F)4 |
| 5.930(14.93) | 200 | 11.408(7.74) | 130 | 4.418(20.08) | 90 | Goyazite | SrAl3(PO4)2(OH)5·(H2O) |
| 5.932(14.92) | 200 | 5.050(17.55) | 180 | 4.696(18.88) | 140 | Tiptopite | K2(Na,Ca)2Li3Be6(PO4)6(OH)2·(H2O) |
| 5.932(14.92) | 200 | 11.880(7.44) | 200 | 6.200(14.27) | 180 | Ferritungstite | (K,Ca,Na)(W++++++,Fe+++)2(O,OH)6·(H2O) |
| 5.932(14.92) | 200 | 5.400(16.40) | 180 | 7.054(12.54) | 180 | Esperanzaite | NaCa2Al2(As+++++O4)2F4(OH)·2(H2O) |
| 5.932(14.92) | 200 | 22.598(3.91) | 190 | 5.694(15.55) | 162 | Johnsenite-(Ce) | Na12(Ce,REE,Sr)3Ca6Mn3Zr3W(Si25O73)(CO3)(OH,Cl)2 |
| 5.934(14.92) | 200 | 5.668(15.62) | 160 | 4.816(18.41) | 130 | Montroydite | HgO |
| 5.934(14.92) | 200 | 3.138(28.42) | 180 | 3.696(24.06) | 180 | Bismutopyrochlore | (Bi,U,Ca,Pb)1+x(Nb,Ta)2O6(OH)·n(H2O) |
| 5.934(14.92) | 200 | 31.334(2.82) | 174 | 5.220(16.97) | 112 | Gatelite-(Ce) | (Ca,Ce,La,Nd)4(Al,Mg,Fe)4[Si2O7][SiO4]3(O,F,OH)3 |
| 5.934(14.92) | 200 | 5.250(16.87) | 180 | 10.680(8.27) | 160 | Tatarskite | Ca6Mg2(SO4)2(CO3)2Cl4(OH)4·7(H2O) |
| 5.936(14.91) | 200 | 5.694(15.55) | 196 | 6.782(13.04) | 102 | Ferrokentbrooksite | Na15Ca6(Fe,Mn)3Zr3NbSi25O73(O,OH,H2O)3(Cl,F,OH)2 |
| 5.936(14.91) | 200 | 6.288(14.07) | 154 | 6.056(14.61) | 90 | Proshchenkoite-(Y) | (Y,REE,Ca,Na,Mn)15Fe++Ca(P,Si)Si6B3(O,F)48 |
| 5.936(14.91) | 200 | 6.328(13.98) | 180 | 9.344(9.46) | 140 | Montebrasite | LiAl(PO4)(OH,F) |
| 5.938(14.91) | 200 | 5.174(17.12) | 120 | 5.564(15.92) | 120 | Yeatmanite | Mn++9Zn6Sb+++++2Si4O28 |
| 5.938(14.91) | 200 | 6.858(12.90) | 168 | 4.198(21.15) | 114 | Galena | PbS |
| 5.938(14.91) | 200 | 3.930(22.61) | 160 | 3.726(23.86) | 120 | Kuannersuite-(Ce) | Ba6Na2REE2(PO4)6FCl |
| 5.940(14.90) | 200 | 8.320(10.62) | 100 | 4.986(17.77) | 80 | Ferrowodginite | Fe++SnTa2O8 |
| 5.940(14.90) | 200 | 5.200(17.04) | 180 | 6.160(14.37) | 50 | Nahcolite | NaHCO3 |
| 5.940(14.90) | 200 | 6.022(14.70) | 160 | 6.750(13.11) | 120 | Rankamaite | (Na,K,Pb,Li)3(Ta,Nb,Al)11(O,OH)30 |
| 5.940(14.90) | 200 | 9.820(9.00) | 150 | 4.462(19.88) | 102 | Huangite | Ca0.5Al3(SO4)2(OH)6 |
| 5.940(14.90) | 200 | 8.632(10.24) | 170 | 5.696(15.54) | 168 | Voronkovite | Na15(Na,Ca,Ce)3(Mn,Ca)3Fe3Zr3Si26O72(OH,O)4Cl·H2O |
| 5.940(14.90) | 200 | 11.460(7.71) | 160 | 7.020(12.60) | 120 | Plumbogummite | PbAl3(PO4)2(OH)5·(H2O) |
| 5.940(14.90) | 200 | 15.700(5.62) | 180 | 7.740(11.42) | 160 | Yavapaiite | KFe+++(SO4)2 |
| 5.940(14.90) | 200 | 4.360(20.35) | 90 | 11.500(7.68) | 70 | Crandallite | CaAl3(PO4)2(OH)5·(H2O) |
| 5.940(14.90) | 200 | 5.878(15.06) | 190 | 5.852(15.13) | 100 | Okanoganite-(Y) | (Na,Ca)3(Y,Ce)12Si6B2O27F14 |
| 5.940(14.90) | 200 | 3.640(24.43) | 120 | 3.100(28.77) | 60 | Goldfieldite | Cu12(Te,Sb,As)4S13 |
| 5.940(14.90) | 200 | 7.040(12.56) | 160 | 7.660(11.54) | 160 | Wollastonite-2M | CaSiO3 |
| 5.940(14.90) | 200 | 6.280(14.09) | 200 | 6.660(13.28) | 200 | Magniotriplite | (Mg,Fe++,Mn)2(PO4)F |
| 5.940(14.90) | 200 | 5.060(17.51) | 100 | 5.120(17.31) | 60 | Hedenbergite | CaFe++Si2O6 |
| 5.940(14.90) | 200 | 3.640(24.43) | 100 | 3.100(28.77) | 80 | Zirconolite-3O | (Ca,Fe,Y,Th)2Fe(Ti,Nb)3Zr2O7 |
| 5.940(14.90) | 200 | 3.080(28.97) | 140 | 7.160(12.35) | 120 | Kolicite | Mn7Zn4(AsO4)2(SiO4)2(OH)8 |
| 5.940(14.90) | 200 | 10.840(8.15) | 160 | 11.780(7.50) | 120 | Demesmaekerite | Pb2Cu5(UO2)2(SeO3)6(OH)6·2(H2O) |
| 5.940(14.90) | 200 | 6.120(14.46) | 180 | 3.200(27.86) | 160 | Natroniobite | NaNbO3 |
| 5.940(14.90) | 200 | 3.660(24.30) | 140 | 5.740(15.42) | 140 | Seidozerite | (Na,Ca)2(Zr,Ti,Mn)2Si2O7(O,F)2 |
| 5.940(14.90) | 200 | 4.188(21.20) | 180 | 4.224(21.01) | 160 | Sorosite | Cu(Sn,Sb) |
| 5.942(14.90) | 200 | 6.140(14.41) | 50 | 7.328(12.07) | 42 | Samarskite-(Yb) | (Yb,Y,REE,U,Th,Ca,Fe++) (Nb,Ta,Ti)O4 |
| 5.942(14.90) | 200 | 7.166(12.34) | 18 | 7.302(12.11) | 18 | Weissbergite | TlSbS2 |
| 5.942(14.90) | 200 | 5.030(17.62) | 160 | 5.116(17.32) | 160 | Dorrite | Ca2Mg2Fe+++4(Al,Fe+++)4Si2O20 |
| 5.942(14.90) | 200 | 5.618(15.76) | 170 | 5.714(15.49) | 116 | Stanekite | Fe+++(Mn,Fe++,Mg)(PO4)O |
| 5.942(14.90) | 200 | 3.100(28.77) | 160 | 3.638(24.45) | 140 | Ingersonite | Ca3Mn++Sb+++++4O14 |
| 5.942(14.90) | 200 | 4.990(17.76) | 150 | 6.994(12.65) | 80 | Sicklerite | Li(Mn++,Fe+++)PO4 |
| 5.944(14.89) | 200 | 5.894(15.02) | 152 | 5.848(15.14) | 132 | Hundholmenite-(Y) | (Y,REE,Ca,Na)15(Al,Fe+++)CaxAs+++1-x(Si,As+++++)Si6B3(O,F)48 |
| 5.944(14.89) | 200 | 23.780(3.71) | 108 | 3.662(24.29) | 100 | Cupropearceite | [Cu6As2S7][Ag9CuS4] |
| 5.944(14.89) | 200 | 6.590(13.42) | 196 | 5.462(16.21) | 126 | Celestine | SrSO4 |
| 5.946(14.89) | 200 | 3.640(24.43) | 106 | 3.104(28.74) | 90 | Calciobetafite | Ca2(Ti,Nb)2(O,OH)7 |
| 5.946(14.89) | 200 | 7.956(11.11) | 194 | 9.300(9.50) | 132 | Heulandite-Ba | (Ba,Ca,K,Na,Sr)5Al9Si27O72·22(H2O) |
| 5.948(14.88) | 200 | 6.060(14.61) | 200 | 9.642(9.16) | 180 | Vigezzite | (Ca,Ce)(Nb,Ta,Ti)2O6 |
| 5.950(14.88) | 200 | 6.354(13.93) | 160 | 3.674(24.20) | 140 | Muckeite | CuNiBiS3 |
| 5.950(14.88) | 200 | 5.504(16.09) | 60 | 7.980(11.08) | 60 | Philolithite | Pb12O6Mn(Mg,Mn)2(Mn,Mg)4(SO4)(CO3)4Cl4(OH)12 |
| 5.950(14.88) | 200 | 6.048(14.63) | 160 | 6.212(14.25) | 70 | Aeschynite-(Ce) | (Ce,Ca,Fe)(Ti,Nb)2(O,OH)6 |
| 5.952(14.87) | 200 | 5.932(14.92) | 190 | 7.288(12.13) | 92 | IMA2000-026 | (Mn,Li)4(Ta,Sn)4(Ta,Nb)8O32 |