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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 |
| 5.886(15.04) | 200 | 3.610(24.64) | 140 | 6.148(14.39) | 120 | Putzite | (Cu4.7Ag3.3)GeS6 |
| 5.886(15.04) | 200 | 6.890(12.84) | 180 | 8.960(9.86) | 180 | Stillwellite-(Ce) | (Ce,La,Ca)BSiO5 |
| 5.888(15.03) | 200 | 7.844(11.27) | 170 | 5.626(15.74) | 60 | Plumboferrite | Pb2Fe+++(11-x)Mn++xO19-2x (x=1/3) |
| 5.890(15.03) | 200 | 11.420(7.74) | 190 | 7.006(12.62) | 80 | Zairite | Bi(Fe+++,Al)3(PO4)2(OH)6 |
| 5.892(15.02) | 200 | 6.268(14.12) | 178 | 6.218(14.23) | 138 | Tanohataite | LiMn2Si3O8(OH) |
| 5.892(15.02) | 200 | 6.022(14.70) | 200 | 5.628(15.73) | 180 | Sahlinite | Pb14(AsO4)2O9Cl4 |
| 5.892(15.02) | 200 | 6.360(13.91) | 164 | 4.482(19.79) | 148 | Jadarite | LiNaB3SiO7(OH) |
| 5.894(15.02) | 200 | 5.100(17.37) | 140 | 5.382(16.46) | 130 | Rhonite | Ca2(Mg,Fe++,Fe+++,Ti)6(Si,Al)6O20 |
| 5.896(15.01) | 200 | 11.386(7.76) | 186 | 6.994(12.65) | 180 | Florencite-(Nd) | (Nd,Ce)Al3(PO4)2(OH)6 |
| 5.896(15.01) | 200 | 5.798(15.27) | 162 | 5.006(17.70) | 132 | Gartrellite | Pb(Cu,Fe++)2(AsO4,SO4)2(CO3,H2O)0.7 |
| 5.898(15.01) | 200 | 5.360(16.53) | 170 | 5.208(17.01) | 160 | Kirschsteinite | CaFe++SiO4 |
| 5.898(15.01) | 200 | 5.468(16.20) | 160 | 5.660(15.64) | 160 | Freedite | Pb8Cu+(As+++O3)2O3Cl5 |
| 5.898(15.01) | 200 | 7.662(11.54) | 180 | 5.144(17.22) | 152 | Julgoldite-(Fe++) | Ca2Fe++(Fe+++,Al)2(SiO4)(Si2O7)(OH)2·(H2O) |
| 5.900(15.00) | 200 | 7.000(12.64) | 140 | 11.420(7.74) | 140 | Florencite-(Ce) | CeAl3(PO4)2(OH)6 |
| 5.900(15.00) | 200 | 8.960(9.86) | 200 | 11.000(8.03) | 120 | Starkeyite | MgSO4·4(H2O) |
| 5.900(15.00) | 200 | 5.280(16.78) | 120 | 7.360(12.01) | 120 | Wegscheiderite | Na5(CO3)(HCO3)3 |
| 5.900(15.00) | 200 | 3.886(22.87) | 160 | 4.140(21.45) | 160 | Hydroxylbastnasite-(La) | La(CO3)(OH) |
| 5.900(15.00) | 200 | 7.840(11.28) | 180 | 4.260(20.83) | 160 | Dimorphite | As4S3 |
| 5.900(15.00) | 200 | 3.908(22.74) | 100 | 6.940(12.74) | 84 | Cerite-(Ce) | Ce+++9Fe+++(SiO4)6[(SiO3)(OH)](OH)3 |
| 5.900(15.00) | 200 | 7.560(11.70) | 160 | 4.920(18.01) | 70 | Otavite | CdCO3 |
| 5.900(15.00) | 200 | 7.300(12.11) | 100 | 5.020(17.65) | 60 | Ashanite | (Nb,Ta,U,Fe,Mn)4O8 |
| 5.900(15.00) | 200 | 7.020(12.60) | 120 | 11.400(7.75) | 110 | Eylettersite | (Th,Pb)1-xAl3(PO4,SiO4)2(OH)6 (?) |
| 5.900(15.00) | 200 | 3.620(24.57) | 180 | 3.100(28.77) | 180 | Yttrotantalite-(Y) | (Y,U,Fe++)(Ta,Nb)O4 |
| 5.900(15.00) | 200 | 7.020(12.60) | 120 | 11.300(7.82) | 110 | Arsenoflorencite-(Nd) | (Nd,La,Ce,Ba)(Al,Fe+++)3(AsO4,PO4)2(OH)6 |
| 5.900(15.00) | 200 | 3.654(24.34) | 160 | 12.000(7.36) | 160 | Romeite | (Ca,Fe++,Mn,Na)2(Sb,Ti)2O6(O,OH,F) |
| 5.900(15.00) | 200 | 7.020(12.60) | 120 | 11.300(7.82) | 110 | Arsenoflorencite-(La) | (La,Sr)Al3(AsO4,SO4,PO4)2(OH)6 |
| 5.900(15.00) | 200 | 6.820(12.97) | 100 | 8.400(10.52) | 80 | Otjisumeite | PbGe4O9 |
| 5.900(15.00) | 200 | 7.680(11.51) | 160 | 5.140(17.24) | 140 | Julgoldite-(Fe+++) | Ca2Fe+++(Fe+++,Al)2(SiO4)(Si2O7)(O,OH)2·(H2O) |
| 5.900(15.00) | 200 | 11.820(7.47) | 180 | 3.620(24.57) | 160 | Partzite | Cu2Sb2(O,OH)7 (?) |
| 5.900(15.00) | 200 | 5.740(15.42) | 120 | 6.600(13.40) | 80 | Burpalite | Na2CaZrSi2O7F2 |
| 5.900(15.00) | 200 | 4.360(20.35) | 140 | 6.240(14.18) | 120 | Pyroxmangite | (Mn,Fe++)SiO3 |
| 5.900(15.00) | 200 | 5.284(16.76) | 180 | 6.318(14.01) | 140 | Duhamelite | Pb2Cu4Bi(VO4)4(OH)3·8(H2O) |
| 5.900(15.00) | 200 | 6.040(14.65) | 200 | 6.180(14.32) | 50 | Yttropyrochlore-(Y) | (Y,Na,Ca,U)1-2(Nb,Ta,Ti)2(O,OH)7 |
| 5.902(15.00) | 200 | 5.598(15.82) | 104 | 3.670(24.23) | 92 | Cupropolybasite | [Cu6Sb2S7][Ag9CuS4] |
| 5.904(14.99) | 200 | 5.244(16.89) | 136 | 9.012(9.81) | 130 | Yedlinite | Pb6CrCl6(O,OH)8 |
| 5.906(14.99) | 200 | 6.720(13.16) | 50 | 9.920(8.91) | 50 | Foshagite | Ca4Si3O9(OH)2 |
| 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 | 5.980(14.80) | 160 | 4.130(21.50) | 140 | Pyromorphite | Pb5(PO4)3Cl |
| 5.914(14.97) | 200 | 3.254(27.39) | 120 | 5.504(16.09) | 120 | Asisite | Pb12(SiO4)O8Cl4 |
| 5.916(14.96) | 200 | 9.700(9.11) | 180 | 9.820(9.00) | 168 | Meridianiite | MgSO4·11H2O |
| 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 |
| 5.916(14.96) | 200 | 5.740(15.42) | 130 | 5.022(17.65) | 80 | Kosmochlor | NaCr+++Si2O6 |
| 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 | 9.802(9.01) | 184 | 5.950(14.88) | 94 | Minamiite | (Na,Ca,K)Al3(SO4)2(OH)6 |
| 5.918(14.96) | 200 | 3.674(24.20) | 180 | 6.356(13.92) | 180 | Lapieite | CuNiSbS3 |
| 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 |
| 5.918(14.96) | 200 | 10.020(8.82) | 140 | 8.660(10.21) | 80 | Ferrisicklerite | Li(Fe+++,Mn++)PO4 |
| 5.920(14.95) | 200 | 3.546(25.09) | 160 | 7.300(12.11) | 140 | Qitianlingite | Fe++2Nb2W++++++O10 |
| 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 | 5.980(14.80) | 200 | 11.244(7.86) | 130 | Biehlite | (Sb,As)2MoO6 |
| 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 | 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 | 6.840(12.93) | 180 | 6.480(13.65) | 140 | Thalfenisite | Tl6(Fe,Ni,Cu)25S26Cl |
| 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 | 2.900(30.81) | 160 | 3.444(25.85) | 160 | Lithiotantite | Li(Ta,Nb)3O8 |
| 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 | 3.628(24.52) | 90 | 3.092(28.85) | 80 | Betafite | (Ca,U)2(Ti,Nb,Ta)2O6(OH) |
| 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 | 2.924(30.55) | 180 | 3.456(25.76) | 140 | Tantalite-(Mg) | (Mg,Fe)(Ta,Nb)2O6 |
| 5.920(14.95) | 200 | 7.920(11.16) | 180 | 5.340(16.59) | 140 | Cymrite | BaAl2Si2O8·(H2O) |
| 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 | 9.840(8.98) | 140 | 5.960(14.85) | 100 | Schlossmacherite | (H3O,Ca)Al3(AsO4,SO4)2(OH)6 |
| 5.920(14.95) | 200 | 7.320(12.08) | 100 | 3.442(25.86) | 40 | Tantalite-(Fe) | Fe++Ta2O6 |
| 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 | 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 | 6.100(14.51) | 200 | 7.880(11.22) | 200 | Catapleiite | (Na,Ca,[ ])2ZrSi3O9·2(H2O) |
| 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 | 6.080(14.56) | 140 | 6.320(14.00) | 120 | Calcjarlite | Na(Ca,Sr)3Al3(F,OH)16 |
| 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 | 6.120(14.46) | 160 | 7.920(11.16) | 160 | Calciocatapleiite | (Ca,[ ])ZrSi3O9·2(H2O) |
| 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 |
| 5.922(14.95) | 200 | 5.440(16.28) | 140 | 7.740(11.42) | 140 | Okhotskite-(Mn++) | Ca2(Mn++,Mg)(Mn+++,Al,Fe+++)Si3O10(OH)4 |
| 5.924(14.94) | 200 | 6.364(13.90) | 174 | 6.786(13.04) | 166 | Nickellotharmeyerite | Ca(Ni,Fe,Co)2(AsO4)2(OH,H2O)2 |
| 5.924(14.94) | 200 | 4.732(18.74) | 140 | 5.090(17.41) | 120 | Natrite | Na2CO3 |
| 5.926(14.94) | 200 | 3.432(25.94) | 140 | 7.282(12.14) | 140 | Wolframoixiolite | (Fe,Mn,Nb)(Nb,W,Ta)O4 |
| 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 | 6.484(13.65) | 200 | 5.694(15.55) | 180 | Irhtemite | Ca4Mg(AsO3OH)2(AsO4)2·4(H2O) |
| 5.926(14.94) | 200 | 5.878(15.06) | 180 | 7.252(12.19) | 140 | Ferrotitanowodginite | Fe++TiTa2O8 |
| 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 | 5.250(16.87) | 180 | 10.680(8.27) | 160 | Tatarskite | Ca6Mg2(SO4)2(CO3)2Cl4(OH)4·7(H2O) |
| 5.934(14.92) | 200 | 5.668(15.62) | 160 | 4.816(18.41) | 130 | Montroydite | HgO |
| 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 | 3.138(28.42) | 180 | 3.696(24.06) | 180 | Bismutopyrochlore | (Bi,U,Ca,Pb)1+x(Nb,Ta)2O6(OH)·n(H2O) |
| 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) |
| 5.936(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 |
| 5.938(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 |