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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.
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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 3.001(29.75) | 100 | 4.260(20.83) | 87 | 3.333(26.72) | 86 | Anglesite | PbSO4 |
| 3.002(29.74) | 100 | 1.606(57.32) | 95 | 2.258(39.89) | 70 | Gramaccioliite-(Y) | (Pb,Sr)(Y,Mn)Fe2(Ti,Fe)18O38 |
| 3.002(29.74) | 100 | 2.456(36.56) | 94 | 2.437(36.85) | 86 | Zincolivenite | CuZn(AsO4)(OH) |
| 3.002(29.74) | 100 | 5.753(15.39) | 80 | 3.516(25.31) | 70 | Gorceixite | BaAl3(PO4)(PO3OH)(OH)6 |
| 3.002(29.74) | 100 | 2.258(39.89) | 95 | 2.892(30.89) | 70 | Gramaccioliite-(Y) | (Pb,Sr)(Y,Mn)Fe2(Ti,Fe)18O38 |
| 3.004(29.72) | 100 | 2.661(33.65) | 80 | 3.288(27.10) | 37 | Strontiowhitlockite | Sr7(Mg,Ca)3(PO4)6[PO3(OH)] |
| 3.005(29.71) | 100 | 8.190(10.79) | 100 | 4.100(21.66) | 80 | Curienite | Pb(UO2)2V2O8•5(H2O) |
| 3.005(29.71) | 100 | 3.095(28.82) | 85 | 2.895(30.86) | 65 | Tilleyite | Ca5Si2O7(CO3)2 |
| 3.006(29.70) | 100 | 6.200(14.27) | 100 | 3.505(25.39) | 100 | Grumantite | NaHSi2O5•(H2O) |
| 3.006(29.70) | 100 | 2.958(30.19) | 100 | 2.812(31.80) | 100 | Kombatite | Pb14(VO4)2O9Cl4 |
| 3.006(29.70) | 100 | 3.505(25.39) | 100 | 6.200(14.27) | 100 | Grumantite | NaHSi2O5•(H2O) |
| 3.006(29.70) | 100 | 3.267(27.27) | 71 | 3.042(29.34) | 66 | Tiragalloite | Mn++4As+++++Si3O12(OH) |
| 3.006(29.70) | 100 | 2.807(31.85) | 85 | 6.000(14.75) | 70 | Bassanite | 2CaSO4•(H2O) |
| 3.007(29.68) | 100 | 2.710(33.03) | 70 | 5.100(17.37) | 60 | Panethite | (Na,Ca,K)2(Mg,Fe++,Mn)2(PO4)2 |
| 3.008(29.67) | 100 | 1.763(51.81) | 100 | 1.918(47.36) | 80 | Cobaltpentlandite | Co9S8 |
| 3.008(29.67) | 100 | 5.720(15.48) | 90 | 3.373(26.40) | 60 | Deanesmithite | Hg+2Hg++3Cr++++++O5S2 |
| 3.009(29.66) | 100 | 14.490(6.09) | 90 | 4.815(18.41) | 80 | Kukisvumite | Na6ZnTi4Si8O28•4(H2O) |
| 3.009(29.66) | 100 | 2.931(30.47) | 69 | 2.970(30.06) | 36 | Nioboaeschynite-(Y) | [(Y,REE),Ca,Th,Fe](Nb,Ti,Ta)2(O,OH)6 |
| 3.009(29.66) | 100 | 2.685(33.34) | 70 | 3.193(27.92) | 41 | Arrojadite-(SrFe) | SrFe++Na2Ca(Fe++,Mn,Mg)13Al(PO4)11(PO3OH)(OH,F)2 |
| 3.010(29.65) | 100 | 5.800(15.26) | 80 | 3.540(25.14) | 70 | Weilerite | BaAl3H[(As,P)O4]2(OH)6 |
| 3.010(29.65) | 100 | 1.768(51.66) | 100 | 2.500(35.89) | 80 | Florensovite | Cu(Cr1.5Sb0.5)S4 |
| 3.010(29.65) | 100 | 2.332(38.58) | 100 | 2.134(42.32) | 100 | Nabiasite | BaMn9[(V,As)O4]6(OH)2 |
| 3.010(29.65) | 100 | 3.190(27.95) | 90 | 2.913(30.67) | 90 | Lithiomarsturite | LiCa2Mn2HSi5O15 |
| 3.010(29.65) | 100 | 2.890(30.92) | 60 | 2.850(31.36) | 60 | Niocalite | Ca14Nb2(Si2O7)4O6F2 |
| 3.010(29.65) | 100 | 3.170(28.13) | 60 | 2.754(32.48) | 60 | Mazzettiite | Ag3HgPbSbTe5 |
| 3.010(29.65) | 100 | 2.600(34.47) | 70 | 1.833(49.70) | 70 | Bismutostibiconite | Bi(Sb+++++,Fe+++)2O7 |
| 3.010(29.65) | 100 | 3.220(27.68) | 100 | 2.610(34.33) | 80 | Parageorgbokiite | Cu5O2(SeO3)2Cl2 |
| 3.010(29.65) | 100 | 3.170(28.13) | 60 | 3.650(24.37) | 60 | Mazzettiite | Ag3HgPbSbTe5 |
| 3.010(29.65) | 100 | 2.776(32.22) | 100 | 6.160(14.37) | 100 | Ungursaite | NaCa5(Ta,Nb)24O65(OH) |
| 3.010(29.65) | 100 | 3.241(27.50) | 70 | 3.373(26.40) | 55 | Brandtite | Ca2(Mn,Mg)(AsO4)2•2(H2O) |
| 3.010(29.65) | 100 | 3.181(28.03) | 51 | 2.678(33.43) | 42 | Arrojadite-(BaFe) | (Ba,K,Pb)Na3(Ca,Sr)(Fe++,Mg,Mn)14Al(PO4)11(PO3OH)(OH,F)2 |
| 3.010(29.65) | 100 | 3.160(28.22) | 70 | 2.817(31.74) | 40 | Gorgeyite | K2Ca5(SO4)6•(H2O) |
| 3.010(29.65) | 100 | 2.710(33.03) | 80 | 1.788(51.04) | 30 | Maslovite | PtBiTe |
| 3.010(29.65) | 100 | 2.584(34.69) | 55 | 3.830(23.20) | 50 | Titantaramellite | Ba4(Ti,Fe+++,Fe++,Mg)4(B2Si8O27)O2Clx X=0 TO 1, with Ti > Fe |
| 3.010(29.65) | 100 | 2.584(34.69) | 55 | 3.830(23.20) | 50 | Taramellite | Ba4(Fe+++,Ti,Fe++,Mg)4(B2Si8O27)O2Clx (x=0 to 1) |
| 3.010(29.65) | 100 | 2.100(43.04) | 60 | 1.771(51.56) | 20 | Cherepanovite | RhAs |
| 3.010(29.65) | 100 | 1.970(46.03) | 75 | 2.190(41.19) | 70 | Strontiochevkinite | (Sr,REE)4Fe(Ti,Zr)2Ti2Si4O22 |
| 3.010(29.65) | 100 | 1.850(49.21) | 25 | 2.610(34.33) | 18 | Bindheimite | Pb2Sb2O6(O,OH) |
| 3.010(29.65) | 100 | 1.844(49.38) | 90 | 1.573(58.64) | 80 | Tantite | Ta2O5 |
| 3.010(29.65) | 100 | 1.840(49.50) | 80 | 1.575(58.56) | 60 | Uranpyrochlore | (U,Ca,Ce)2(Nb,Ta)2O6(OH,F) |
| 3.010(29.65) | 100 | 1.833(49.70) | 70 | 2.600(34.47) | 70 | Bismutostibiconite | Bi(Sb+++++,Fe+++)2O7 |
| 3.010(29.65) | 100 | 2.754(32.48) | 60 | 3.170(28.13) | 60 | Mazzettiite | Ag3HgPbSbTe5 |
| 3.010(29.65) | 100 | 2.850(31.36) | 60 | 2.890(30.92) | 60 | Niocalite | Ca14Nb2(Si2O7)4O6F2 |
| 3.010(29.65) | 100 | 2.913(30.67) | 90 | 3.190(27.95) | 90 | Lithiomarsturite | LiCa2Mn2HSi5O15 |
| 3.010(29.65) | 100 | 3.140(28.40) | 90 | 6.030(14.68) | 80 | Stibiomicrolite | (Sb,Ca,Na)2(Ta,Nb)2(O,OH)7 |
| 3.010(29.65) | 100 | 2.980(29.96) | 90 | 6.310(14.02) | 80 | Baylissite | K2Mg(CO3)2•4(H2O) |
| 3.011(29.64) | 100 | 2.547(35.21) | 80 | 2.456(36.56) | 80 | Nchwaningite | Mn++2SiO3(OH)2•(H2O) |
| 3.011(29.64) | 100 | 2.456(36.56) | 80 | 2.547(35.21) | 80 | Nchwaningite | Mn++2SiO3(OH)2•(H2O) |
| 3.011(29.64) | 100 | 3.372(26.41) | 77 | 2.750(32.53) | 62 | Brendelite | (Bi,Pb)2Fe(PO4)(O,OH)3 |
| 3.011(29.64) | 100 | 10.150(8.70) | 88 | 3.319(26.84) | 75 | Cerchiaraite | Ba4(Mn,Fe,Al)4Si6(O,OH,Cl)26 |
| 3.011(29.64) | 100 | 2.946(30.31) | 100 | 2.814(31.77) | 90 | Sahlinite | Pb14(AsO4)2O9Cl4 |
| 3.012(29.63) | 100 | 2.965(30.12) | 80 | 3.945(22.52) | 60 | Perroudite | Hg5-xAg4+xS5-x(Cl,I,Br)4+x |
| 3.012(29.63) | 100 | 2.693(33.24) | 100 | 2.372(37.90) | 80 | Staurolite | (Fe++,Mg)2Al9(Si,Al)4O20(O,OH)4 |
| 3.014(29.61) | 100 | 2.820(31.70) | 65 | 3.019(29.56) | 51 | Omongwaite | Na2Ca5(SO4)6•3H2O |
| 3.014(29.61) | 100 | 3.150(28.31) | 19 | 2.784(32.12) | 18 | Riversideite | Ca5Si6O16(OH)2•2(H2O) |
| 3.014(29.61) | 100 | 2.827(31.62) | 100 | 1.854(49.10) | 100 | Saryarkite-(Y) | Ca(Y,Th)Al5(SiO4)2(PO4,SO4)2(OH)7•6(H2O) |
| 3.015(29.60) | 100 | 3.338(26.68) | 100 | 3.234(27.56) | 100 | Olsacherite | Pb2(SeO4)(SO4) |
| 3.015(29.60) | 100 | 5.720(15.48) | 95 | 3.800(23.39) | 72 | Cobaltomenite | CoSeO3•2(H2O) |
| 3.015(29.60) | 100 | 3.234(27.56) | 100 | 3.338(26.68) | 100 | Olsacherite | Pb2(SeO4)(SO4) |
| 3.015(29.60) | 100 | 1.846(49.32) | 59 | 1.574(58.60) | 47 | Fluornatromicrolite | (Na,Ca,Bi)2Ta2O6F |
| 3.015(29.60) | 100 | 3.860(23.02) | 35 | 2.656(33.72) | 35 | Norsethite | BaMg(CO3)2 |
| 3.015(29.60) | 100 | 2.656(33.72) | 35 | 3.860(23.02) | 35 | Norsethite | BaMg(CO3)2 |
| 3.016(29.59) | 100 | 3.811(23.32) | 78 | 3.315(26.87) | 48 | Krieselite | (Al,Ga)2(Ge,C)O4 (OH)2 |
| 3.017(29.58) | 100 | 2.534(35.39) | 75 | 7.620(11.60) | 45 | Esperite | PbCa3Zn4(SiO4)4 |
| 3.018(29.57) | 100 | 3.574(24.89) | 75 | 5.580(15.87) | 70 | Namibite | Cu++Bi2(VO4)O2 |
| 3.018(29.57) | 100 | 2.920(30.59) | 83 | 2.882(31.00) | 52 | Dmitryivanovite | CaAl2O4 |
| 3.019(29.56) | 100 | 2.698(33.18) | 55 | 3.208(27.79) | 43 | Arrojadite-(PbFe) | PbFe++Na2Ca(Fe++,Mn,Mg)13Al(PO4)11(PO3OH)(OH,F)2 |
| 3.020(29.55) | 100 | 1.506(61.52) | 60 | 2.810(31.82) | 60 | Nagyagite | AuPb(Sb,Bi)Te2-3S6 |
| 3.020(29.55) | 100 | 2.537(35.35) | 80 | 2.960(30.17) | 40 | Petedunnite | Ca(Zn,Mn++,Fe++,Mg)Si2O6 |
| 3.020(29.55) | 100 | 1.581(58.31) | 90 | 1.861(48.90) | 90 | Plumbopyrochlore | (Pb,Y,U,Ca)2-xNb2O6(OH) |
| 3.020(29.55) | 100 | 1.850(49.21) | 70 | 2.610(34.33) | 70 | Stetefeldtite | Ag2Sb2O6(O,OH) |
| 3.020(29.55) | 100 | 2.856(31.29) | 100 | 10.110(8.74) | 85 | Iquiqueite | K3Na4Mg(Cr++++++O4)B24O39(OH)•12(H2O) |
| 3.020(29.55) | 100 | 1.861(48.90) | 90 | 1.581(58.31) | 90 | Plumbopyrochlore | (Pb,Y,U,Ca)2-xNb2O6(OH) |
| 3.020(29.55) | 100 | 2.610(34.33) | 70 | 1.850(49.21) | 70 | Stetefeldtite | Ag2Sb2O6(O,OH) |
| 3.020(29.55) | 100 | 2.070(43.69) | 90 | 2.000(45.30) | 90 | Garrelsite-VIII | Ba3NaSi2B7O16(OH)4 |
| 3.020(29.55) | 100 | 2.810(31.82) | 80 | 2.130(42.40) | 80 | Ningyoite | (U,Ca,Ce)2(PO4)2•1-2(H2O) |
| 3.020(29.55) | 100 | 5.840(15.16) | 80 | 3.550(25.06) | 80 | Arsenogorceixite | BaAl3AsO3(OH)(AsO4,PO4)(OH,F)6 |
| 3.020(29.55) | 100 | 1.508(61.43) | 100 | 1.793(50.88) | 70 | Calciotantite | Ca(Ta,Nb)4O11 |
| 3.020(29.55) | 100 | 2.950(30.27) | 100 | 3.090(28.87) | 25 | Yttropyrochlore-(Y) | (Y,Na,Ca,U)1-2(Nb,Ta,Ti)2(O,OH)7 |
| 3.020(29.55) | 100 | 2.810(31.82) | 60 | 1.506(61.52) | 60 | Nagyagite | AuPb(Sb,Bi)Te2-3S6 |
| 3.020(29.55) | 100 | 2.900(30.81) | 100 | 3.210(27.77) | 80 | Pigeonite | (Mg,Fe++,Ca)(Mg,Fe++)Si2O6 |
| 3.020(29.55) | 100 | 3.030(29.45) | 60 | 2.592(34.58) | 28 | Nagashimalite | Ba4(V+++,Ti)4Si8B2O27Cl(O,OH)2 |
| 3.020(29.55) | 100 | 3.550(25.06) | 80 | 5.840(15.16) | 80 | Arsenogorceixite | BaAl3AsO3(OH)(AsO4,PO4)(OH,F)6 |
| 3.020(29.55) | 100 | 5.820(15.21) | 90 | 3.560(24.99) | 80 | Philipsbornite | PbAl3(AsO4)2(OH)5•(H2O) |
| 3.020(29.55) | 100 | 5.910(14.98) | 90 | 2.870(31.14) | 80 | Umbite | K2ZrSi3O9•(H2O) |
| 3.020(29.55) | 100 | 2.991(29.85) | 80 | 3.204(27.82) | 55 | Scawtite | Ca7Si6(CO3)O18•2(H2O) |
| 3.020(29.55) | 100 | 2.830(31.59) | 80 | 4.400(20.16) | 80 | Rhabdophane-(La) | (La,Ce)PO4•(H2O) |
| 3.020(29.55) | 100 | 2.400(37.44) | 100 | 1.945(46.66) | 100 | Chvilevaite | Na(Cu,Fe,Zn)2S2 |
| 3.020(29.55) | 100 | 4.400(20.16) | 80 | 2.830(31.59) | 80 | Rhabdophane-(La) | (La,Ce)PO4•(H2O) |
| 3.020(29.55) | 100 | 1.863(48.85) | 50 | 2.660(33.67) | 40 | Canfieldite | Ag8SnS6 |
| 3.020(29.55) | 100 | 2.630(34.06) | 100 | 3.190(27.95) | 100 | Isokite | CaMg(PO4)F |
| 3.020(29.55) | 100 | 2.000(45.30) | 90 | 2.070(43.69) | 90 | Garrelsite-VIII | Ba3NaSi2B7O16(OH)4 |
| 3.020(29.55) | 100 | 2.130(42.40) | 80 | 2.810(31.82) | 80 | Ningyoite | (U,Ca,Ce)2(PO4)2•1-2(H2O) |
| 3.020(29.55) | 100 | 2.778(32.20) | 90 | 1.556(59.34) | 80 | Natrotantite | Na2Ta4O11 |
| 3.022(29.53) | 100 | 3.510(25.35) | 100 | 2.615(34.26) | 90 | Davanite | K2TiSi6O15 |
| 3.022(29.53) | 100 | 4.340(20.45) | 50 | 2.205(40.89) | 30 | Ikunolite | Bi4(S,Se)3 |
| 3.023(29.52) | 100 | 5.040(17.58) | 93 | 2.996(29.80) | 50 | Ammonioalunite | (NH4)Al3(SO4)2(OH)6 |
| 3.024(29.51) | 100 | 1.852(49.15) | 80 | 1.581(58.31) | 70 | Sinnerite | Cu6As4S9 |
| 3.024(29.51) | 100 | 4.420(20.07) | 91 | 3.493(25.48) | 88 | Ximengite | BiPO4 |
| 3.025(29.50) | 100 | 3.206(27.80) | 100 | 2.798(31.96) | 50 | Fergusonite-beta-(Nd) | (Nd,Ce)NbO4 |
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