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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 |
| 2.998(29.78) | 100 | 5.990(14.78) | 77 | 1.833(49.70) | 40 | Bartonite | K3Fe10S14 |
| 2.998(29.78) | 100 | 2.938(30.40) | 100 | 3.100(28.77) | 100 | Manganbabingtonite | Ca2(Mn,Fe++)Fe+++Si5O14(OH) |
| 2.999(29.77) | 100 | 2.655(33.73) | 100 | 3.303(26.97) | 90 | Strakhovite | NaBa3(Mn++,Mn+++)4Si6O19(OH)3 |
| 2.999(29.77) | 100 | 3.252(27.40) | 91 | 3.283(27.14) | 89 | Zincgartrellite | Pb(Zn,Fe,Cu)2(AsO4)2(OH,H2O)2 |
| 2.999(29.77) | 100 | 1.833(49.70) | 40 | 1.594(57.79) | 20 | Watanabeite | Cu4(As,Sb)2S5 |
| 3.000(29.76) | 100 | 3.780(23.52) | 55 | 2.072(43.65) | 35 | Selenium | Se |
| 3.000(29.76) | 100 | 4.980(17.80) | 100 | 4.060(21.87) | 80 | Spiroffite | (Mn,Zn)2Te3O8 |
| 3.000(29.76) | 100 | 5.340(16.59) | 60 | 3.620(24.57) | 55 | Teschemacherite | (NH4)HCO3 |
| 3.000(29.76) | 100 | 5.750(15.40) | 70 | 3.520(25.28) | 60 | Osarizawaite | PbCuAl2(SO4)2(OH)6 |
| 3.000(29.76) | 100 | 2.940(30.38) | 100 | 1.581(58.31) | 70 | Tantalaeschynite-(Y) | (Y,Ce,Ca)(Ta,Ti,Nb)2O6 |
| 3.000(29.76) | 100 | 5.160(17.17) | 75 | 1.850(49.21) | 75 | Cavoite | CaV3O7 |
| 3.000(29.76) | 100 | 6.700(13.20) | 70 | 2.410(37.28) | 70 | Liebauite | Ca3Cu5Si9O26 |
| 3.000(29.76) | 90 | 2.520(35.60) | 50 | 2.427(37.01) | 50 | Kurilite | (Ag,Au)2(Te,Se,S) |
| 3.000(29.76) | 100 | 3.670(24.23) | 70 | 2.950(30.27) | 70 | Wodginite | Mn++(Sn,Ta)(Ta,Nb)2O8 |
| 3.000(29.76) | 100 | 0.788(155.65) | 100 | 0.777(164.92) | 100 | Bowieite | (Rh,Ir,Pt)1.77S3 |
| 3.000(29.76) | 100 | 1.758(51.97) | 100 | 1.009(99.53) | 90 | Cuprorhodsite | CuRh2S4 |
| 3.000(29.76) | 100 | 1.760(51.91) | 100 | 2.489(36.06) | 90 | Cuproiridsite | CuIr2S4 |
| 3.000(29.76) | 100 | 3.270(27.25) | 100 | 2.780(32.17) | 90 | Arsenbrackebuschite | Pb2(Fe++,Zn)(AsO4)2•(H2O) |
| 3.000(29.76) | 100 | 3.260(27.33) | 60 | 2.940(30.38) | 55 | Jagowerite | BaAl2(PO4)2(OH)2 |
| 3.000(29.76) | 100 | 3.220(27.68) | 80 | 5.100(17.37) | 60 | Zincroselite | Ca2Zn(AsO4)2•2(H2O) |
| 3.000(29.76) | 100 | 1.838(49.55) | 60 | 1.568(58.85) | 50 | Pyrochlore | (Na,Ca)2Nb2O6(OH,F) |
| 3.000(29.76) | 100 | 1.850(49.21) | 75 | 5.160(17.17) | 75 | Cavoite | CaV3O7 |
| 3.000(29.76) | 100 | 2.410(37.28) | 70 | 6.700(13.20) | 70 | Liebauite | Ca3Cu5Si9O26 |
| 3.000(29.76) | 90 | 2.427(37.01) | 50 | 2.520(35.60) | 50 | Kurilite | (Ag,Au)2(Te,Se,S) |
| 3.000(29.76) | 100 | 2.526(35.51) | 70 | 2.960(30.17) | 60 | Esseneite | CaFe+++AlSiO6 |
| 3.000(29.76) | 100 | 2.540(35.31) | 90 | 1.720(53.21) | 80 | Blakeite | Fe2(TeO3)3 |
| 3.000(29.76) | 100 | 2.820(31.70) | 60 | 3.140(28.40) | 30 | Xanthoconite | Ag3AsS3 |
| 3.000(29.76) | 100 | 2.840(31.47) | 90 | 3.110(28.68) | 50 | Pearceite | [Ag9CuS4] [(Ag,Cu)6(As,Sb)2S7] |
| 3.000(29.76) | 100 | 1.831(49.76) | 60 | 1.563(59.05) | 30 | Tetrahedrite | (Cu,Fe)12Sb4S13 |
| 3.000(29.76) | 100 | 2.840(31.47) | 90 | 3.110(28.68) | 50 | Antimonpearceite | [Ag9CuS4] [(Ag,Cu)6(Sb,As)2S7] |
| 3.000(29.76) | 100 | 3.190(27.95) | 90 | 2.880(31.03) | 80 | Polybasite | [Ag9CuS4] [(Ag,Cu)6(Sb,As)2S7] |
| 3.000(29.76) | 100 | 3.190(27.95) | 90 | 2.880(31.03) | 80 | Arsenpolybasite | [Ag9CuS4] [(Ag,Cu)6(As,Sb)2S7] |
| 3.000(29.76) | 100 | 2.957(30.20) | 97 | 3.662(24.29) | 53 | Heftetjernite | ScTaO4 |
| 3.000(29.76) | 100 | 2.950(30.27) | 70 | 3.670(24.23) | 70 | Wodginite | Mn++(Sn,Ta)(Ta,Nb)2O8 |
| 3.001(29.75) | 100 | 4.260(20.83) | 87 | 3.333(26.72) | 86 | Anglesite | PbSO4 |
| 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 |
| 3.002(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 |
| 3.004(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 | 2.807(31.85) | 85 | 6.000(14.75) | 70 | Bassanite | 2CaSO4•(H2O) |
| 3.006(29.70) | 100 | 3.267(27.27) | 71 | 3.042(29.34) | 66 | Tiragalloite | Mn++4As+++++Si3O12(OH) |
| 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 | 5.720(15.48) | 90 | 3.373(26.40) | 60 | Deanesmithite | Hg+2Hg++3Cr++++++O5S2 |
| 3.008(29.67) | 100 | 1.763(51.81) | 100 | 1.918(47.36) | 80 | Cobaltpentlandite | Co9S8 |
| 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 | 1.844(49.38) | 90 | 1.573(58.64) | 80 | Tantite | Ta2O5 |
| 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 | 2.332(38.58) | 100 | 2.134(42.32) | 100 | Nabiasite | BaMn9[(V,As)O4]6(OH)2 |
| 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 | 3.170(28.13) | 60 | 2.754(32.48) | 60 | Mazzettiite | Ag3HgPbSbTe5 |
| 3.010(29.65) | 100 | 2.890(30.92) | 60 | 2.850(31.36) | 60 | Niocalite | Ca14Nb2(Si2O7)4O6F2 |
| 3.010(29.65) | 100 | 3.190(27.95) | 90 | 2.913(30.67) | 90 | Lithiomarsturite | LiCa2Mn2HSi5O15 |
| 3.010(29.65) | 100 | 2.913(30.67) | 90 | 3.190(27.95) | 90 | Lithiomarsturite | LiCa2Mn2HSi5O15 |
| 3.010(29.65) | 100 | 3.170(28.13) | 60 | 3.650(24.37) | 60 | Mazzettiite | Ag3HgPbSbTe5 |
| 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 | 2.776(32.22) | 100 | 6.160(14.37) | 100 | Ungursaite | NaCa5(Ta,Nb)24O65(OH) |
| 3.010(29.65) | 100 | 3.220(27.68) | 100 | 2.610(34.33) | 80 | Parageorgbokiite | Cu5O2(SeO3)2Cl2 |
| 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 | 2.100(43.04) | 60 | 1.771(51.56) | 20 | Cherepanovite | RhAs |
| 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 | 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 | 2.980(29.96) | 90 | 6.310(14.02) | 80 | Baylissite | K2Mg(CO3)2•4(H2O) |
| 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 | 5.800(15.26) | 80 | 3.540(25.14) | 70 | Weilerite | BaAl3H[(As,P)O4]2(OH)6 |
| 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 | 1.850(49.21) | 25 | 2.610(34.33) | 18 | Bindheimite | Pb2Sb2O6(O,OH) |
| 3.010(29.65) | 100 | 2.754(32.48) | 60 | 3.170(28.13) | 60 | Mazzettiite | Ag3HgPbSbTe5 |
| 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 | 2.584(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 | 1.970(46.03) | 75 | 2.190(41.19) | 70 | Strontiochevkinite | (Sr,REE)4Fe(Ti,Zr)2Ti2Si4O22 |
| 3.010(29.65) | 100 | 2.710(33.03) | 80 | 1.788(51.04) | 30 | Maslovite | PtBiTe |
| 3.010(29.65) | 100 | 2.850(31.36) | 60 | 2.890(30.92) | 60 | Niocalite | Ca14Nb2(Si2O7)4O6F2 |
| 3.011(29.64) | 100 | 2.946(30.31) | 100 | 2.814(31.77) | 90 | Sahlinite | Pb14(AsO4)2O9Cl4 |
| 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 | 3.372(26.41) | 77 | 2.750(32.53) | 62 | Brendelite | (Bi,Pb)2Fe(PO4)(O,OH)3 |
| 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 | 10.150(8.70) | 88 | 3.319(26.84) | 75 | Cerchiaraite | Ba4(Mn,Fe,Al)4Si6(O,OH,Cl)26 |
| 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 |
| 3.012(29.63) | 100 | 2.965(30.12) | 80 | 3.945(22.52) | 60 | Perroudite | Hg5-xAg4+xS5-x(Cl,I,Br)4+x |
| 3.014(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) |
| 3.014(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) |
| 3.015(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 | 2.656(33.72) | 35 | 3.860(23.02) | 35 | Norsethite | BaMg(CO3)2 |
| 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 | 3.234(27.56) | 100 | 3.338(26.68) | 100 | Olsacherite | Pb2(SeO4)(SO4) |
| 3.015(29.60) | 100 | 3.860(23.02) | 35 | 2.656(33.72) | 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 |
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