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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 |
| 2.616(34.25) | 100 | 1.636(56.18) | 65 | 3.509(25.36) | 61 | Akimotoite | (Mg,Fe)SiO3 |
| 2.616(34.25) | 100 | 2.765(32.35) | 85 | 2.414(37.22) | 49 | Hawthorneite | Ba[Ti3Cr4Fe4Mg]O19 |
| 2.619(34.21) | 100 | 4.260(20.83) | 80 | 3.360(26.51) | 70 | Plumbonacrite | Pb10(CO3)6O(OH)6 |
| 2.620(34.20) | 100 | 1.574(58.60) | 100 | 2.920(30.59) | 90 | Calderite | (Mn++,Ca)3(Fe+++,Al)2(SiO4)3 |
| 2.620(34.20) | 100 | 2.390(37.60) | 100 | 1.765(51.75) | 90 | Trogtalite | CoSe2 |
| 2.620(34.20) | 100 | 3.040(29.36) | 90 | 2.070(43.69) | 90 | Vanadiumdravite | NaMg3V6(Si6O18)(BO3)3(OH)4 |
| 2.620(34.20) | 100 | 3.580(24.85) | 75 | 3.040(29.36) | 75 | Chromdravite | NaMg3(Cr,Fe+++)6(BO3)3Si6O18(OH)4 |
| 2.620(34.20) | 100 | 3.260(27.33) | 80 | 4.570(19.41) | 40 | Aspidolite | NaMg3AlSi3O10(OH)2 |
| 2.620(34.20) | 100 | 2.390(37.60) | 60 | 4.690(18.91) | 40 | Coparsite | Cu4O2[(As,V)O4]Cl |
| 2.620(34.20) | 100 | 3.040(29.36) | 90 | 6.540(13.53) | 90 | Vanadiumdravite | NaMg3V6(Si6O18)(BO3)3(OH)4 |
| 2.620(34.20) | 100 | 2.460(36.49) | 100 | 2.950(30.27) | 100 | Gaudefroyite | Ca4Mn+++3-x(BO3)3(CO3)(O,OH)3 |
| 2.620(34.20) | 100 | 9.730(9.08) | 80 | 3.260(27.33) | 40 | Aspidolite | NaMg3AlSi3O10(OH)2 |
| 2.620(34.20) | 100 | 2.070(43.69) | 90 | 3.040(29.36) | 90 | Vanadiumdravite | NaMg3V6(Si6O18)(BO3)3(OH)4 |
| 2.620(34.20) | 100 | 2.910(30.70) | 100 | 3.880(22.90) | 60 | Kleinite | Hg2N(Cl,SO4)•n(H2O) |
| 2.620(34.20) | 100 | 3.030(29.45) | 60 | 2.390(37.60) | 40 | Coparsite | Cu4O2[(As,V)O4]Cl |
| 2.620(34.20) | 100 | 3.040(29.36) | 75 | 3.580(24.85) | 75 | Chromdravite | NaMg3(Cr,Fe+++)6(BO3)3Si6O18(OH)4 |
| 2.621(34.18) | 100 | 2.390(37.60) | 70 | 1.767(51.69) | 60 | Willyamite | (Co,Ni)SbS |
| 2.622(34.17) | 100 | 1.875(48.51) | 60 | 1.959(46.31) | 60 | Danielsite | (Cu,Ag)14HgS8 |
| 2.622(34.17) | 100 | 1.959(46.31) | 60 | 1.875(48.51) | 60 | Danielsite | (Cu,Ag)14HgS8 |
| 2.623(34.15) | 100 | 3.290(27.08) | 90 | 3.610(24.64) | 90 | Hydrocerussite | Pb3(CO3)2(OH)2 |
| 2.623(34.15) | 100 | 3.610(24.64) | 90 | 3.290(27.08) | 90 | Hydrocerussite | Pb3(CO3)2(OH)2 |
| 2.623(34.15) | 100 | 3.036(29.39) | 90 | 2.143(42.13) | 80 | Remondite-(La) | Na3(La,Ce,Ca)3(CO3)5 |
| 2.624(34.14) | 100 | 2.802(31.91) | 95 | 2.612(34.30) | 90 | Lindqvistite | Pb2(Mn++,Mg)Fe+++16027 |
| 2.624(34.14) | 100 | 1.550(59.60) | 80 | 2.726(32.83) | 70 | Lawsonite | CaAl2Si2O7(OH)2•(H2O) |
| 2.625(34.13) | 100 | 2.679(33.42) | 90 | 3.734(23.81) | 90 | Brianite | Na2CaMg(PO4)2 |
| 2.625(34.13) | 100 | 3.734(23.81) | 90 | 2.679(33.42) | 90 | Brianite | Na2CaMg(PO4)2 |
| 2.626(34.11) | 100 | 3.020(29.55) | 86 | 3.200(27.86) | 67 | Panasqueiraite | CaMg(PO4)(OH,F) |
| 2.626(34.11) | 100 | 3.151(28.30) | 90 | 3.769(23.59) | 90 | Nickelaustinite | Ca(Ni,Zn)(AsO4)(OH) |
| 2.626(34.11) | 100 | 2.477(36.24) | 100 | 2.429(36.98) | 80 | Menshikovite | Pd3Ni2As3 |
| 2.626(34.11) | 100 | 3.769(23.59) | 90 | 3.151(28.30) | 90 | Nickelaustinite | Ca(Ni,Zn)(AsO4)(OH) |
| 2.628(34.09) | 100 | 4.900(18.09) | 74 | 1.927(47.12) | 42 | Portlandite | Ca(OH)2 |
| 2.628(34.09) | 100 | 2.891(30.91) | 80 | 1.945(46.66) | 47 | Tuite | Ca3(PO4)2 |
| 2.629(34.07) | 100 | 2.788(32.08) | 90 | 1.721(53.18) | 70 | IMA2009-011 | Ba3Na(Fe++,Mn)8Ti4(Si2O7)4O4(OH,F)7 |
| 2.630(34.06) | 100 | 1.942(46.74) | 100 | 2.530(35.45) | 80 | Oenite | CoSbAs |
| 2.630(34.06) | 100 | 3.620(24.57) | 100 | 3.120(28.59) | 100 | Garavellite | FeSbBiS4 |
| 2.630(34.06) | 100 | 6.630(13.34) | 90 | 4.050(21.93) | 90 | Povondraite | (Na,K)(Fe+++,Fe++)3(Fe,Mg,Al)6(BO3)3Si6O18(OH)4 |
| 2.630(34.06) | 100 | 2.780(32.17) | 90 | 1.622(56.71) | 90 | Yimengite | K(Cr,Ti,Fe,Mg)12O19 |
| 2.630(34.06) | 100 | 2.820(31.70) | 60 | 1.890(48.10) | 60 | Hellandite-(Y) | (Ca,REE)4(Y,Ce)2(Al,[ ])2[Si4B4O22](OH)2 |
| 2.630(34.06) | 100 | 3.190(27.95) | 100 | 3.020(29.55) | 100 | Isokite | CaMg(PO4)F |
| 2.630(34.06) | 100 | 2.325(38.70) | 100 | 2.880(31.03) | 100 | Makinenite | NiSe |
| 2.630(34.06) | 100 | 1.915(47.44) | 100 | 2.670(33.54) | 80 | Omeiite | (Os,Ru)As2 |
| 2.630(34.06) | 100 | 3.680(24.16) | 100 | 3.800(23.39) | 90 | Loseyite | (Mn,Zn)7(CO3)2(OH)10 |
| 2.630(34.06) | 100 | 1.890(48.10) | 60 | 2.820(31.70) | 60 | Hellandite-(Y) | (Ca,REE)4(Y,Ce)2(Al,[ ])2[Si4B4O22](OH)2 |
| 2.630(34.06) | 100 | 1.853(49.13) | 70 | 3.330(26.75) | 60 | Imandrite | Na12Ca3Fe+++2Si12O36 |
| 2.630(34.06) | 100 | 3.120(28.59) | 100 | 3.620(24.57) | 100 | Garavellite | FeSbBiS4 |
| 2.630(34.06) | 100 | 1.622(56.71) | 90 | 2.780(32.17) | 90 | Yimengite | K(Cr,Ti,Fe,Mg)12O19 |
| 2.630(34.06) | 100 | 3.730(23.84) | 90 | 5.290(16.75) | 80 | Spertiniite | Cu(OH)2 |
| 2.630(34.06) | 100 | 4.050(21.93) | 90 | 6.630(13.34) | 90 | Povondraite | (Na,K)(Fe+++,Fe++)3(Fe,Mg,Al)6(BO3)3Si6O18(OH)4 |
| 2.630(34.06) | 100 | 4.810(18.43) | 100 | 5.850(15.13) | 90 | Libethenite | Cu2(PO4)(OH) |
| 2.630(34.06) | 100 | 2.770(32.29) | 100 | 1.620(56.78) | 70 | Magnetoplumbite | Pb(Fe+++,Mn+++)12O19 |
| 2.630(34.06) | 100 | 3.020(29.55) | 100 | 3.190(27.95) | 100 | Isokite | CaMg(PO4)F |
| 2.631(34.05) | 100 | 1.966(46.13) | 90 | 1.770(51.59) | 80 | Langisite | (Co,Ni)As |
| 2.631(34.05) | 100 | 2.799(31.95) | 80 | 1.478(62.82) | 70 | Batiferrite | Ba(Ti2Fe+++8Fe++2)O19 |
| 2.634(34.01) | 100 | 2.834(31.54) | 95 | 3.486(25.53) | 80 | Willemite | Zn2SiO4 |
| 2.635(33.99) | 100 | 3.965(22.40) | 100 | 3.794(23.43) | 90 | Lithiophosphate | Li3PO4 |
| 2.637(33.97) | 100 | 3.130(28.49) | 90 | 3.646(24.39) | 70 | Oxykinoshitalite | (Ba,K)(Mg,Fe++,Ti)3(Si,Al)4O10O2 |
| 2.637(33.97) | 100 | 2.801(31.92) | 100 | 3.171(28.12) | 100 | Austinite | CaZn(AsO4)(OH) |
| 2.637(33.97) | 100 | 2.172(41.54) | 90 | 3.130(28.49) | 70 | Oxykinoshitalite | (Ba,K)(Mg,Fe++,Ti)3(Si,Al)4O10O2 |
| 2.637(33.97) | 100 | 3.171(28.12) | 100 | 2.801(31.92) | 100 | Austinite | CaZn(AsO4)(OH) |
| 2.639(33.94) | 100 | 2.118(42.65) | 80 | 3.370(26.43) | 60 | Kornerupine | (Mg,Fe++)4Al6(SiO4,BO4)5(O,OH)2 |
| 2.639(33.94) | 100 | 1.628(56.48) | 70 | 2.791(32.04) | 70 | Parsettensite | (K,Na,Ca)(Mn,Al)7Si8O20(OH)8•2(H2O) (?) |
| 2.639(33.94) | 100 | 3.030(29.45) | 80 | 2.118(42.65) | 60 | Kornerupine | (Mg,Fe++)4Al6(SiO4,BO4)5(O,OH)2 |
| 2.639(33.94) | 100 | 3.041(29.35) | 80 | 5.280(16.78) | 70 | Burbankite | (Na,Ca)3(Sr,Ba,Ce)3(CO3)5 |
| 2.639(33.94) | 100 | 2.791(32.04) | 70 | 1.628(56.48) | 70 | Parsettensite | (K,Na,Ca)(Mn,Al)7Si8O20(OH)8•2(H2O) (?) |
| 2.640(33.93) | 100 | 5.280(16.78) | 100 | 3.310(26.91) | 100 | Iraqite-(La) | K(La,Ce,Th)2(Ca,Na)4(Si,Al)16O40 |
| 2.640(33.93) | 100 | 11.400(7.75) | 100 | 2.939(30.39) | 100 | Raite | Na4Mn++4Si8(O,OH)24•9(H2O) |
| 2.640(33.93) | 100 | 2.545(35.24) | 100 | 2.935(30.43) | 80 | Kullerudite | NiSe2 |
| 2.640(33.93) | 100 | 3.510(25.35) | 100 | 2.570(34.88) | 50 | Kupletskite | K2Na(Mn,Fe++)7(Ti,Nb)2Si8O26(OH)4F |
| 2.640(33.93) | 100 | 3.310(26.91) | 100 | 5.280(16.78) | 100 | Iraqite-(La) | K(La,Ce,Th)2(Ca,Na)4(Si,Al)16O40 |
| 2.640(33.93) | 100 | 2.939(30.39) | 100 | 11.400(7.75) | 100 | Raite | Na4Mn++4Si8(O,OH)24•9(H2O) |
| 2.640(33.93) | 100 | 2.710(33.03) | 95 | 5.420(16.34) | 70 | Mitscherlichite | K2CuCl4•2(H2O) |
| 2.641(33.91) | 100 | 2.795(31.99) | 90 | 1.634(56.25) | 47 | Haggertyite | Ba[Fe++6Ti5Mg]O19 |
| 2.642(33.90) | 100 | 3.710(23.97) | 70 | 3.110(28.68) | 50 | Chlorophoenicite | (Mn,Mg)3Zn2(AsO4)(OH,O)6 |
| 2.642(33.90) | 100 | 3.110(28.68) | 70 | 6.870(12.88) | 50 | Chlorophoenicite | (Mn,Mg)3Zn2(AsO4)(OH,O)6 |
| 2.643(33.89) | 100 | 2.372(37.90) | 80 | 1.420(65.70) | 70 | Urvantsevite | Pd(Bi,Pb)2 |
| 2.644(33.88) | 100 | 4.310(20.59) | 100 | 3.380(26.35) | 80 | Montroseite | (V+++,Fe+++,V++++)O(OH) |
| 2.644(33.88) | 100 | 3.760(23.64) | 90 | 3.610(24.64) | 90 | Tocornalite | (Ag,Hg)I (?) |
| 2.644(33.88) | 100 | 1.811(50.34) | 100 | 3.519(25.29) | 100 | Chernovite-(Y) | YAsO4 |
| 2.644(33.88) | 100 | 3.610(24.64) | 90 | 3.760(23.64) | 90 | Tocornalite | (Ag,Hg)I (?) |
| 2.645(33.86) | 100 | 3.730(23.84) | 80 | 5.150(17.20) | 60 | Chukanovite | Fe2(CO3)(OH)2 |
| 2.645(33.86) | 100 | 1.873(48.57) | 100 | 1.618(56.86) | 100 | Zavaritskite | BiOF |
| 2.647(33.84) | 100 | 1.847(49.30) | 80 | 2.600(34.47) | 80 | Oosterboschite | (Pd,Cu)7Se3 |
| 2.647(33.84) | 100 | 2.600(34.47) | 80 | 1.847(49.30) | 80 | Oosterboschite | (Pd,Cu)7Se3 |
| 2.647(33.84) | 100 | 3.071(29.05) | 80 | 4.892(18.12) | 55 | Trona | Na3(CO3)(HCO3)•2(H2O) |
| 2.648(33.82) | 100 | 2.969(30.07) | 70 | 2.419(37.14) | 60 | Peterbaylissite | Hg+3(CO3)(OH)•2(H2O) |
| 2.649(33.81) | 100 | 3.054(29.22) | 45 | 3.049(29.27) | 40 | Nacaphite | Na(Na,Ca)2(PO4)F |
| 2.649(33.81) | 100 | 2.787(32.09) | 100 | 3.070(29.06) | 90 | Hatrurite | Ca3SiO5 |
| 2.650(33.80) | 100 | 1.720(53.21) | 40 | 2.110(42.82) | 40 | Bafertisite | Ba(Fe++,Mn)2TiSi2O7(O,OH)2 |
| 2.650(33.80) | 100 | 1.910(47.57) | 48 | 2.900(30.81) | 45 | Piergorite-(Ce) | Ca8Ce2(Al0.5 Fe+++0.5)([ ],Li,Be)2Si6B8O36(OH,F)2 |
| 2.650(33.80) | 100 | 1.988(45.59) | 100 | 2.190(41.19) | 70 | Majakite | PdNiAs |
| 2.650(33.80) | 100 | 3.950(22.49) | 60 | 3.020(29.55) | 60 | Grechishchevite | Hg3S2(Br,Cl,I)2 |
| 2.650(33.80) | 100 | 1.913(47.49) | 55 | 4.970(17.83) | 30 | Tadzhikite-(Ce) | Ca4(Ce,Y)2(Ti,Al,Fe+++,[ ])2[Si4B4O22](OH)2 |
| 2.650(33.80) | 100 | 1.913(47.49) | 55 | 4.970(17.83) | 30 | Tadzhikite-(Y) | Ca4(Y,Ce)2(Ti,Al,Fe+++,[ ])2[Si4B4O22](OH)2 |
| 2.650(33.80) | 100 | 1.953(46.46) | 90 | 1.566(58.93) | 60 | Xieite | FeCr2O4 |
| 2.650(33.80) | 100 | 2.160(41.78) | 90 | 2.250(40.04) | 50 | Polarite | Pd(Bi,Pb) |
| 2.650(33.80) | 100 | 2.160(41.78) | 90 | 2.500(35.89) | 60 | Borishanskiite | Pd1+x(As,Pb)2, x = 0-0.2 |
| 2.650(33.80) | 50 | 2.740(32.65) | 40 | 4.640(19.11) | 30 | Bayankhanite | Cu6HgS4 |
| 2.650(33.80) | 100 | 3.070(29.06) | 60 | 3.060(29.16) | 60 | Arzakite | Hg3S2(Br,Cl)2 |
| 2.650(33.80) | 100 | 2.110(42.82) | 40 | 1.720(53.21) | 40 | Bafertisite | Ba(Fe++,Mn)2TiSi2O7(O,OH)2 |
| 2.650(33.80) | 100 | 3.020(29.55) | 60 | 3.950(22.49) | 60 | Grechishchevite | Hg3S2(Br,Cl,I)2 |