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Minerals Arranged by X-Ray Powder Diffraction
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.
|
Selected X-Ray λ |
Change X-Ray λ |
D1 Å |
D2 Å |
D3 Å |
Tolerance % |
Elements |
|---|
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 2.793(32.02) | 100 | 1.399(66.82) | 70 | 2.831(31.58) | 25 | Herzenbergite | SnS |
| 2.793(32.02) | 100 | 3.490(25.50) | 90 | 3.710(23.97) | 90 | Kuliokite-(Y) | (Y,REE)4Al(SiO4)2(OH)2F5 |
| 2.793(32.02) | 100 | 3.710(23.97) | 90 | 3.490(25.50) | 90 | Kuliokite-(Y) | (Y,REE)4Al(SiO4)2(OH)2F5 |
| 2.794(32.01) | 100 | 3.006(29.70) | 80 | 3.028(29.47) | 80 | Brenkite | Ca2(CO3)F2 |
| 2.794(32.01) | 100 | 3.028(29.47) | 80 | 3.006(29.70) | 80 | Brenkite | Ca2(CO3)F2 |
| 2.795(31.99) | 100 | 2.744(32.61) | 95 | 2.780(32.17) | 90 | Larnite | Ca2SiO4 |
| 2.795(31.99) | 100 | 2.876(31.07) | 90 | 3.290(27.08) | 90 | Keyite | Cu++3(Zn,Cu)4Cd2(AsO4)6•2(H2O) |
| 2.795(31.99) | 100 | 3.290(27.08) | 90 | 2.876(31.07) | 90 | Keyite | Cu++3(Zn,Cu)4Cd2(AsO4)6•2(H2O) |
| 2.796(31.98) | 100 | 3.440(25.88) | 65 | 3.139(28.41) | 65 | Axinite-(Mg) | Ca2MgAl2BO3Si4O12(OH) |
| 2.796(31.98) | 100 | 3.139(28.41) | 65 | 3.440(25.88) | 65 | Axinite-(Mg) | Ca2MgAl2BO3Si4O12(OH) |
| 2.797(31.97) | 100 | 6.570(13.47) | 80 | 3.440(25.88) | 80 | Natrochalcite | NaCu2(SO4)2(OH)•(H2O) |
| 2.797(31.97) | 100 | 3.440(25.88) | 80 | 6.570(13.47) | 80 | Natrochalcite | NaCu2(SO4)2(OH)•(H2O) |
| 2.797(31.97) | 100 | 9.870(8.95) | 96 | 3.450(25.80) | 90 | Nabalamprophyllite | Ba(Na,Ba){Na3Ti[Ti2O2Si4O14](OH,F)2} |
| 2.798(31.96) | 100 | 2.841(31.46) | 88 | 3.158(28.24) | 80 | Baumstarkite | Ag3(Sb,As)2SbS6 |
| 2.798(31.96) | 100 | 3.158(28.24) | 88 | 3.425(25.99) | 80 | Baumstarkite | Ag3(Sb,As)2SbS6 |
| 2.799(31.95) | 100 | 3.045(29.31) | 100 | 3.093(28.84) | 80 | Clinokurchatovite | Ca(Mg,Fe++,Mn)B2O5 |
| 2.799(31.95) | 100 | 2.676(33.46) | 80 | 3.464(25.70) | 77 | Colimaite | K3VS4 |
| 2.800(31.94) | 100 | 1.856(49.04) | 100 | 3.500(25.43) | 100 | Plattnerite | PbO2 |
| 2.800(31.94) | 100 | 1.945(46.66) | 30 | 3.710(23.97) | 30 | Nadorite | PbSbO2Cl |
| 2.800(31.94) | 100 | 3.100(28.77) | 90 | 3.000(29.76) | 90 | Yuksporite | (Sr,Ba)2K4(Ca,Na)14([ ],Mn,Fe){(Ti,Nb)4(O,OH)4[Si6O17]2[Si2O7]3}(H2O,OH)n, n~3 |
| 2.800(31.94) | 100 | 3.710(23.97) | 30 | 1.945(46.66) | 30 | Nadorite | PbSbO2Cl |
| 2.800(31.94) | 100 | 3.800(23.39) | 100 | 5.850(15.13) | 35 | Bazirite | BaZrSi3O9 |
| 2.800(31.94) | 100 | 3.550(25.06) | 100 | 9.100(9.71) | 60 | Synchysite-(Ce) | CaCe(CO3)2F |
| 2.800(31.94) | 100 | 2.314(38.89) | 60 | 2.405(37.36) | 50 | Tellurohauchecornite | Ni9BiTeS8 |
| 2.800(31.94) | 100 | 2.560(35.02) | 90 | 1.670(54.94) | 80 | Manganberzeliite | (Ca,Na)3(Mn,Mg)2(AsO4)3 |
| 2.800(31.94) | 100 | 5.580(15.87) | 70 | 2.950(30.27) | 18 | Joaquinite-(Ce) | NaFe++Ba2Ce2(Ti,Nb)2[Si4O12]2O2(OH,F)•(H2O) |
| 2.800(31.94) | 100 | 2.702(33.13) | 60 | 2.772(32.27) | 55 | Apatite-(CaF) | Ca5(PO4)3F |
| 2.800(31.94) | 100 | 5.580(15.87) | 67 | 2.950(30.27) | 17 | Orthojoaquinite-(La) | Ba2Na(La,Ce)2Fe++Ti2Si8O26(OH,O,F)•H2O |
| 2.800(31.94) | 100 | 3.000(29.76) | 90 | 3.100(28.77) | 90 | Yuksporite | (Sr,Ba)2K4(Ca,Na)14([ ],Mn,Fe){(Ti,Nb)4(O,OH)4[Si6O17]2[Si2O7]3}(H2O,OH)n, n~3 |
| 2.800(31.94) | 3.110(28.68) | 4.030(22.04) | Suolunite | Ca2Si2O5(OH)2•(H2O) | |||
| 2.801(31.92) | 100 | 2.811(31.81) | 100 | 6.580(13.45) | 90 | Vitusite-(Ce) | Na3(Ce,La,Nd)(PO4)2 |
| 2.801(31.92) | 100 | 2.637(33.97) | 100 | 3.171(28.12) | 100 | Austinite | CaZn(AsO4)(OH) |
| 2.801(31.92) | 100 | 7.310(12.10) | 80 | 2.787(32.09) | 80 | Ponomarevite | K4Cu++4OCl10 |
| 2.801(31.92) | 100 | 2.967(30.09) | 72 | 3.001(29.75) | 48 | Strontio-orthojoaquinite | (Na,Fe++)2Ba2Sr2Ti2[Si4O12]2(O,OH)2•(H2O) |
| 2.801(31.92) | 100 | 2.787(32.09) | 80 | 7.310(12.10) | 80 | Ponomarevite | K4Cu++4OCl10 |
| 2.801(31.92) | 100 | 2.967(30.09) | 72 | 3.001(29.75) | 48 | Strontiojoaquinite | (Na,Fe++)2Ba2Sr2Ti2[Si4O12]2(O,OH)2•(H2O) |
| 2.803(31.90) | 100 | 2.558(35.05) | 60 | 3.132(28.47) | 55 | Palenzonaite | (Ca,Na)3Mn++(V+++++,As+++++,Si)3O12 |
| 2.803(31.90) | 100 | 2.720(32.90) | 70 | 3.840(23.14) | 55 | Nahpoite | Na2HPO4 |
| 2.805(31.88) | 100 | 2.703(33.11) | 80 | 2.066(43.78) | 60 | Mattagamite | CoTe2 |
| 2.806(31.87) | 100 | 1.766(51.72) | 80 | 2.613(34.29) | 80 | Melanostibite | Mn(Sb+++++,Fe+++)O3 |
| 2.806(31.87) | 100 | 2.613(34.29) | 80 | 1.766(51.72) | 80 | Melanostibite | Mn(Sb+++++,Fe+++)O3 |
| 2.807(31.85) | 100 | 3.690(24.10) | 97 | 3.640(24.43) | 95 | Kudriavite | (Cd,Pb)Bi2S4 |
| 2.807(31.85) | 100 | 3.384(26.31) | 95 | 3.117(28.61) | 90 | Dansite | Na21Mg(SO4)10Cl3 |
| 2.809(31.83) | 100 | 9.390(9.41) | 90 | 2.920(30.59) | 70 | Lunokite | (Mn,Ca)(Mg,Fe++,Mn)Al(PO4)2(OH)•4(H2O) |
| 2.809(31.83) | 100 | 3.108(28.70) | 100 | 3.027(29.48) | 100 | Calciocopiapite | CaFe+++4(SO4)6(OH)2•19(H2O) |
| 2.809(31.83) | 100 | 3.027(29.48) | 100 | 3.108(28.70) | 100 | Calciocopiapite | CaFe+++4(SO4)6(OH)2•19(H2O) |
| 2.810(31.82) | 100 | 3.440(25.88) | 40 | 1.840(49.50) | 40 | Tritomite-(Ce) | (Ce,La,Ca,Y,Th)5(Si,B)3(O,OH,F)13 |
| 2.810(31.82) | 100 | 3.440(25.88) | 40 | 1.840(49.50) | 40 | Melanocerite-(Ce) | (Ce,Th,Ca)5(Si,B)3O12(OH,F)•n(H2O) (?) |
| 2.810(31.82) | 100 | 5.270(16.81) | 40 | 2.420(37.12) | 40 | Eosphorite | MnAl(PO4)(OH)2•(H2O) |
| 2.810(31.82) | 100 | 1.830(49.79) | 100 | 3.090(28.87) | 100 | Plombierite | Ca5H2Si6O18•6H2O |
| 2.810(31.82) | 100 | 1.437(64.83) | 60 | 2.065(43.80) | 50 | Reidite | ZrSiO4 |
| 2.810(31.82) | 100 | 1.755(52.07) | 60 | 1.437(64.83) | 50 | Reidite | ZrSiO4 |
| 2.810(31.82) | 100 | 5.270(16.81) | 40 | 2.420(37.12) | 40 | Childrenite | Fe++Al(PO4)(OH)2•(H2O) |
| 2.810(31.82) | 100 | 2.590(34.60) | 90 | 2.030(44.60) | 80 | Seinajokite | (Fe,Ni)(Sb,As)2 |
| 2.810(31.82) | 100 | 3.050(29.26) | 80 | 7.610(11.62) | 50 | Olshanskyite | Ca2[B3O3(OH)6]OH•3(H2O) |
| 2.810(31.82) | 100 | 2.750(32.53) | 90 | 2.730(32.78) | 80 | Britholite-(Y) | (Y,Ca)5(SiO4,PO4)3(OH,F) |
| 2.810(31.82) | 100 | 2.710(33.03) | 70 | 2.070(43.69) | 50 | Frohbergite | FeTe2 |
| 2.810(31.82) | 100 | 2.420(37.12) | 40 | 5.270(16.81) | 40 | Childrenite | Fe++Al(PO4)(OH)2•(H2O) |
| 2.810(31.82) | 100 | 2.420(37.12) | 40 | 5.270(16.81) | 40 | Eosphorite | MnAl(PO4)(OH)2•(H2O) |
| 2.810(31.82) | 100 | 1.840(49.50) | 40 | 3.440(25.88) | 40 | Tritomite-(Ce) | (Ce,La,Ca,Y,Th)5(Si,B)3(O,OH,F)13 |
| 2.810(31.82) | 100 | 1.840(49.50) | 40 | 3.440(25.88) | 40 | Melanocerite-(Ce) | (Ce,Th,Ca)5(Si,B)3O12(OH,F)•n(H2O) (?) |
| 2.811(31.81) | 100 | 3.090(28.87) | 80 | 3.610(24.64) | 70 | Parabrandtite | Ca2Mn++(AsO4)•2(H2O) |
| 2.811(31.81) | 100 | 4.150(21.39) | 80 | 2.920(30.59) | 80 | Zabuyelite | Li2CO3 |
| 2.811(31.81) | 100 | 2.920(30.59) | 80 | 4.150(21.39) | 80 | Zabuyelite | Li2CO3 |
| 2.811(31.81) | 100 | 2.801(31.92) | 100 | 6.580(13.45) | 90 | Vitusite-(Ce) | Na3(Ce,La,Nd)(PO4)2 |
| 2.812(31.80) | 100 | 3.257(27.36) | 100 | 3.132(28.47) | 100 | Kornite | Na(CaNa)Fe++4(Al,Fe+++)Si7AlO22(OH)2 |
| 2.812(31.80) | 100 | 3.070(29.06) | 100 | 2.990(29.86) | 100 | Jeppeite | (K,Ba)2(Ti,Fe+++)6O13 |
| 2.812(31.80) | 100 | 3.006(29.70) | 100 | 2.958(30.19) | 100 | Kombatite | Pb14(VO4)2O9Cl4 |
| 2.812(31.80) | 100 | 3.160(28.22) | 90 | 3.460(25.73) | 80 | Axinite-(Fe) | Ca2Fe++Al2BO3Si4O12(OH) |
| 2.812(31.80) | 100 | 3.132(28.47) | 100 | 3.257(27.36) | 100 | Kornite | Na(CaNa)Fe++4(Al,Fe+++)Si7AlO22(OH)2 |
| 2.812(31.80) | 100 | 2.990(29.86) | 100 | 3.070(29.06) | 100 | Jeppeite | (K,Ba)2(Ti,Fe+++)6O13 |
| 2.812(31.80) | 100 | 2.958(30.19) | 100 | 3.006(29.70) | 100 | Kombatite | Pb14(VO4)2O9Cl4 |
| 2.812(31.80) | 100 | 3.460(25.73) | 80 | 6.300(14.05) | 70 | Tinzenite | (Ca,Mn,Fe)3Al2BO3Si4O12(OH) |
| 2.813(31.78) | 100 | 5.630(15.73) | 90 | 2.860(31.25) | 70 | Criddleite | TlAg2Au3Sb10S10 |
| 2.813(31.78) | 100 | 1.896(47.94) | 75 | 3.048(29.28) | 65 | Covellite | CuS |
| 2.814(31.77) | 100 | 2.720(32.90) | 60 | 2.778(32.20) | 60 | Apatite-(CaOH) | Ca5(PO4)3(OH) |
| 2.814(31.77) | 100 | 2.778(32.20) | 60 | 2.720(32.90) | 60 | Apatite-(CaOH) | Ca5(PO4)3(OH) |
| 2.814(31.77) | 100 | 3.017(29.58) | 70 | 3.640(24.43) | 65 | Fillowite | Na2Ca(Mn,Fe++)7(PO4)6 |
| 2.814(31.77) | 100 | 3.077(28.99) | 100 | 3.630(24.50) | 90 | Gillulyite | Tl2(As,Sb)8S13 |
| 2.816(31.75) | 100 | 2.540(35.31) | 100 | 3.528(25.22) | 100 | Junitoite | CaZn2Si2O7•(H2O) |
| 2.817(31.74) | 100 | 3.747(23.73) | 80 | 2.505(35.82) | 80 | Stanfieldite | Ca4(Mg,Fe++,Mn)5(PO4)6 |
| 2.817(31.74) | 100 | 4.360(20.35) | 80 | 2.594(34.55) | 70 | Weloganite | Sr3Na2Zr(CO3)6•3(H2O) |
| 2.817(31.74) | 100 | 2.505(35.82) | 80 | 3.747(23.73) | 80 | Stanfieldite | Ca4(Mg,Fe++,Mn)5(PO4)6 |
| 2.818(31.73) | 100 | 3.650(24.37) | 90 | 1.744(52.42) | 80 | Tusionite | MnSn++++(BO3)2 |
| 2.819(31.72) | 100 | 3.077(28.99) | 80 | 3.209(27.78) | 60 | Joosteite | (Mn++,Mn+++,Fe+++)2(PO4)O |
| 2.820(31.70) | 100 | 1.549(59.64) | 60 | 1.920(47.30) | 50 | Melonite | NiTe2 |
| 2.820(31.70) | 100 | 1.965(46.16) | 30 | 2.870(31.14) | 30 | Sergeevite | Ca2Mg11(CO3)9(HCO3)4(OH)4•6(H2O) |
| 2.820(31.70) | 100 | 2.450(36.65) | 38 | 1.485(62.49) | 33 | Cleusonite | Pb(U++++,U++++++)(Ti,Fe++,Fe+++)20(O,OH)38 |
| 2.820(31.70) | 100 | 2.570(34.88) | 70 | 2.880(31.03) | 70 | Sursassite | Mn++2Al3(SiO4)(Si2O7)(OH)3 |
| 2.820(31.70) | 100 | 2.870(31.14) | 80 | 6.210(14.25) | 80 | Warikahnite | Zn3(AsO4)2•2(H2O) |
| 2.820(31.70) | 100 | 2.870(31.14) | 30 | 1.965(46.16) | 30 | Sergeevite | Ca2Mg11(CO3)9(HCO3)4(OH)4•6(H2O) |
| 2.820(31.70) | 100 | 5.000(17.72) | 100 | 5.400(16.40) | 100 | Atacamite | Cu2Cl(OH)3 |
| 2.820(31.70) | 100 | 3.440(25.88) | 90 | 2.117(42.67) | 50 | Trimounsite-(Y) | (Y,REE)2Ti2SiO9 |
| 2.820(31.70) | 100 | 3.270(27.25) | 70 | 1.961(46.26) | 60 | Schirmerite | Ag3Pb3Bi9S18 to Ag3Pb6Bi7S18 |
| 2.820(31.70) | 100 | 3.240(27.51) | 90 | 3.370(26.43) | 90 | Borodaevite | Ag5(Bi,Sb)9S16 |
| 2.820(31.70) | 100 | 3.440(25.88) | 100 | 2.910(30.70) | 100 | Franckeite | (Pb,Sn)6Fe++Sn2Sb2S14 |
| 2.820(31.70) | 100 | 3.220(27.68) | 40 | 1.940(46.79) | 30 | Aramayoite | Ag3Sb2(Sb,Bi)S6 |
| 2.820(31.70) | 100 | 3.210(27.77) | 80 | 2.720(32.90) | 60 | Smithite | AgAsS2 |
| 2.820(31.70) | 100 | 3.120(28.59) | 100 | 4.010(22.15) | 80 | Mcbirneyite | Cu3(VO4)2 |
| 2.820(31.70) | 100 | 3.010(29.65) | 90 | 6.030(14.68) | 55 | Rhabdophane-(Ce) | (Ce,La)PO4•(H2O) |