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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 |
| 2.958(30.19) | 100 | 2.870(31.14) | 65 | 2.511(35.73) | 40 | Kosmochlor | NaCr+++Si2O6 |
| 2.958(30.19) | 100 | 3.470(25.65) | 40 | 3.310(26.91) | 38 | Cerite-(La) | (La,Ce,Ca)9(Mg,Fe+++)(SiO4)6[SiO3(OH)](OH)3 |
| 2.958(30.19) | 100 | 4.850(18.28) | 90 | 4.910(18.05) | 84 | Meridianiite | MgSO4•11H2O |
| 2.958(30.19) | 100 | 2.812(31.80) | 100 | 3.006(29.70) | 100 | Kombatite | Pb14(VO4)2O9Cl4 |
| 2.959(30.18) | 100 | 2.101(43.02) | 50 | 2.086(43.34) | 50 | Jonassonite | Au(Bi,Pb)5S4 |
| 2.959(30.18) | 100 | 3.178(28.05) | 90 | 1.837(49.58) | 90 | Lapieite | CuNiSbS3 |
| 2.959(30.18) | 100 | 3.514(25.32) | 90 | 1.903(47.75) | 90 | Kemmlitzite | (Sr,Ce)Al3(AsO4)(SO4)(OH)6 |
| 2.959(30.18) | 100 | 5.010(17.69) | 70 | 4.330(20.49) | 40 | Ferrisicklerite | Li(Fe+++,Mn++)PO4 |
| 2.959(30.18) | 100 | 4.901(18.09) | 92 | 2.975(30.01) | 47 | Minamiite | (Na,Ca,K)Al3(SO4)2(OH)6 |
| 2.959(30.18) | 100 | 2.086(43.34) | 50 | 2.101(43.02) | 50 | Jonassonite | Au(Bi,Pb)5S4 |
| 2.959(30.18) | 100 | 1.903(47.75) | 90 | 3.514(25.32) | 90 | Kemmlitzite | (Sr,Ce)Al3(AsO4)(SO4)(OH)6 |
| 2.959(30.18) | 100 | 1.837(49.58) | 90 | 3.178(28.05) | 90 | Lapieite | CuNiSbS3 |
| 2.959(30.18) | 100 | 1.530(60.46) | 50 | 1.981(45.76) | 35 | Stishovite | SiO2 |
| 2.960(30.17) | 100 | 2.673(33.50) | 100 | 4.810(18.43) | 90 | Clinotyrolite | Ca2Cu9[(As,S)O4]4(OH)10•10(H2O) |
| 2.960(30.17) | 100 | 2.520(35.60) | 100 | 2.870(31.14) | 80 | Natalyite | Na(V+++,Cr+++)Si2O6 |
| 2.960(30.17) | 100 | 3.960(22.43) | 80 | 3.060(29.16) | 80 | Calciocatapleiite | (Ca,[ ])ZrSi3O9•2(H2O) |
| 2.960(30.17) | 100 | 15.400(5.73) | 50 | 3.510(25.35) | 40 | Traskite | (Ba,Ca)9(Fe++,Mn)2Ti2(SiO3)12(OH,Cl,F)6•6(H2O) |
| 2.960(30.17) | 100 | 8.880(9.95) | 65 | 4.430(20.03) | 45 | Katoptrite | (Mn,Mg)13(Al,Fe+++)4Sb+++++2Si2O28 |
| 2.960(30.17) | 100 | 5.930(14.93) | 90 | 1.810(50.37) | 80 | Stibiconite | Sb+++Sb+++++2O6(OH) |
| 2.960(30.17) | 100 | 2.753(32.50) | 100 | 3.694(24.07) | 100 | Chladniite | Na2Ca(Mg,Fe++)7(PO4)6 |
| 2.960(30.17) | 100 | 2.825(31.65) | 100 | 7.140(12.39) | 80 | Alluaivite | Na19(Ca,Mn++)6(Ti,Nb)3(Si3O9)2(Si10O28)2Cl•2(H2O) |
| 2.960(30.17) | 100 | 2.900(30.81) | 100 | 10.130(8.72) | 100 | Rudenkoite | Sr3Al3[(Si,Al)4O10](OH,O)8Cl2•H2O |
| 2.960(30.17) | 100 | 2.640(33.93) | 90 | 2.280(39.49) | 90 | Selenostephanite | Ag5Sb(Se,S)4 |
| 2.960(30.17) | 100 | 3.940(22.55) | 100 | 3.050(29.26) | 100 | Catapleiite | (Na,Ca,[ ])2ZrSi3O9•2(H2O) |
| 2.960(30.17) | 100 | 5.340(16.59) | 65 | 2.820(31.70) | 65 | Perrierite-(Ce) | (Ce,La,Ca)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22 |
| 2.960(30.17) | 100 | 2.860(31.25) | 100 | 2.691(33.27) | 100 | Thomsonite-Sr | (Sr,Ca)2Na[Al5Si5O20]•7(H2O) |
| 2.960(30.17) | 100 | 4.340(20.45) | 100 | 3.710(23.97) | 100 | Ancylite-(Ce) | SrCe(CO3)2(OH)•(H2O) |
| 2.960(30.17) | 100 | 1.722(53.14) | 80 | 1.450(64.18) | 80 | Lithiotantite | Li(Ta,Nb)3O8 |
| 2.960(30.17) | 100 | 4.920(18.01) | 70 | 2.980(29.96) | 50 | Schlossmacherite | (H3O,Ca)Al3(AsO4,SO4)2(OH)6 |
| 2.960(30.17) | 100 | 1.462(63.59) | 90 | 1.728(52.94) | 70 | Tantalite-(Mg) | (Mg,Fe)(Ta,Nb)2O6 |
| 2.960(30.17) | 100 | 3.420(26.03) | 90 | 3.240(27.51) | 70 | Thalfenisite | Tl6(Fe,Ni,Cu)25S26Cl |
| 2.960(30.17) | 100 | 3.350(26.59) | 75 | 3.370(26.43) | 70 | Monetite | CaHPO4 |
| 2.960(30.17) | 100 | 3.060(29.16) | 80 | 3.960(22.43) | 80 | Calciocatapleiite | (Ca,[ ])ZrSi3O9•2(H2O) |
| 2.960(30.17) | 100 | 3.050(29.26) | 100 | 3.940(22.55) | 100 | Catapleiite | (Na,Ca,[ ])2ZrSi3O9•2(H2O) |
| 2.960(30.17) | 100 | 3.040(29.36) | 70 | 3.160(28.22) | 60 | Calcjarlite | Na(Ca,Sr)3Al3(F,OH)16 |
| 2.960(30.17) | 100 | 2.990(29.86) | 100 | 5.622(15.75) | 65 | Biehlite | (Sb,As)2MoO6 |
| 2.960(30.17) | 100 | 2.970(30.06) | 80 | 2.920(30.59) | 70 | Nambulite | (Li,Na)Mn++4[Si5O14(OH)] |
| 2.960(30.17) | 100 | 2.820(31.70) | 65 | 5.340(16.59) | 65 | Perrierite-(Ce) | (Ce,La,Ca)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22 |
| 2.960(30.17) | 100 | 2.280(39.49) | 90 | 2.640(33.93) | 90 | Selenostephanite | Ag5Sb(Se,S)4 |
| 2.960(30.17) | 100 | 2.059(43.94) | 86 | 3.494(25.47) | 65 | Proudite | Cu1.9Ag0.1Pb15.6Bi20.4Sb0.1S32.4Se14.5 |
| 2.960(30.17) | 100 | 1.814(50.25) | 45 | 1.546(59.77) | 40 | Betafite | (Ca,U)2(Ti,Nb,Ta)2O6(OH) |
| 2.960(30.17) | 100 | 1.773(51.50) | 80 | 3.650(24.37) | 70 | Qitianlingite | Fe++2Nb2W++++++O10 |
| 2.960(30.17) | 100 | 3.030(29.45) | 100 | 1.550(59.60) | 60 | Nioboaeschynite-(Ce) | (Ce,Ca)(Nb,Ti)2(O,OH)6 |
| 2.960(30.17) | 100 | 3.660(24.30) | 50 | 1.721(53.18) | 20 | Tantalite-(Fe) | Fe++Ta2O6 |
| 2.960(30.17) | 100 | 4.900(18.09) | 75 | 2.970(30.06) | 70 | Natroalunite | NaAl3(SO4)2(OH)6 |
| 2.960(30.17) | 100 | 1.450(64.18) | 80 | 1.722(53.14) | 80 | Lithiotantite | Li(Ta,Nb)3O8 |
| 2.960(30.17) | 100 | 3.700(24.03) | 90 | 3.480(25.58) | 50 | Coeruleolactite | (Ca,Cu)Al6(PO4)4(OH)8•4-5(H2O) |
| 2.960(30.17) | 100 | 3.960(22.43) | 90 | 2.670(33.54) | 70 | Cymrite | BaAl2Si2O8•(H2O) |
| 2.960(30.17) | 100 | 3.710(23.97) | 100 | 4.340(20.45) | 100 | Ancylite-(Ce) | SrCe(CO3)2(OH)•(H2O) |
| 2.961(30.16) | 100 | 2.720(32.90) | 70 | 3.870(22.96) | 70 | Okhotskite-(Mn++) | Ca2(Mn++,Mg)(Mn+++,Al,Fe+++)Si3O10(OH)4 |
| 2.961(30.16) | 100 | 3.120(28.59) | 100 | 3.546(25.09) | 80 | Petrovicite | PbHgCu3BiSe5 |
| 2.961(30.16) | 100 | 3.870(22.96) | 70 | 2.720(32.90) | 70 | Okhotskite-(Mn++) | Ca2(Mn++,Mg)(Mn+++,Al,Fe+++)Si3O10(OH)4 |
| 2.961(30.16) | 100 | 3.073(29.03) | 90 | 1.896(47.94) | 70 | Hainite | Na4Ca8(Ti,Zr,Mn,Fe)3Si8O28F8 |
| 2.962(30.15) | 100 | 3.182(28.02) | 87 | 3.393(26.24) | 83 | Nickellotharmeyerite | Ca(Ni,Fe,Co)2(AsO4)2(OH,H2O)2 |
| 2.962(30.15) | 100 | 2.366(38.00) | 70 | 2.545(35.24) | 60 | Natrite | Na2CO3 |
| 2.963(30.14) | 100 | 3.513(25.33) | 60 | 1.905(47.70) | 50 | Arsenoflorencite-(Ce) | (Ce,La)Al3(AsO4)2(OH)6 |
| 2.963(30.14) | 100 | 3.641(24.43) | 70 | 1.716(53.34) | 70 | Wolframoixiolite | (Fe,Mn,Nb)(Nb,W,Ta)O4 |
| 2.963(30.14) | 100 | 1.716(53.34) | 70 | 3.641(24.43) | 70 | Wolframoixiolite | (Fe,Mn,Nb)(Nb,W,Ta)O4 |
| 2.963(30.14) | 100 | 2.939(30.39) | 90 | 3.626(24.53) | 70 | Ferrotitanowodginite | Fe++TiTa2O8 |
| 2.963(30.14) | 100 | 3.242(27.49) | 100 | 2.847(31.40) | 90 | Irhtemite | Ca4Mg(AsO3OH)2(AsO4)2•4(H2O) |
| 2.964(30.13) | 100 | 2.844(31.43) | 89 | 11.348(7.78) | 44 | Oneillite | Na15Ca3Mn3Fe++3Zr3Nb(Si25O73)(O,OH,H2O)3(OH,Cl)2 |
| 2.964(30.13) | 100 | 2.839(31.49) | 90 | 1.770(51.59) | 60 | Dualite | Na30(Ca,Na,Ce,Sr)12(Na,Mn,Fe,Ti)6Zr3Ti3MnSi51O144(OH,H2O,Cl)9 |
| 2.965(30.12) | 100 | 5.704(15.52) | 65 | 2.209(40.82) | 45 | Goyazite | SrAl3(PO4)2(OH)5•(H2O) |
| 2.965(30.12) | 100 | 2.577(34.78) | 90 | 2.043(44.30) | 80 | Uvite | (Ca,Na)(Mg,Fe++)3Al5Mg(BO3)3Si6O18(OH,F)4 |
| 2.966(30.10) | 100 | 3.527(25.23) | 90 | 2.700(33.15) | 90 | Esperanzaite | NaCa2Al2(As+++++O4)2F4(OH)•2(H2O) |
| 2.966(30.10) | 100 | 2.525(35.52) | 90 | 2.348(38.30) | 70 | Tiptopite | K2(Na,Ca)2Li3Be6(PO4)6(OH)2•(H2O) |
| 2.966(30.10) | 100 | 2.700(33.15) | 90 | 3.527(25.23) | 90 | Esperanzaite | NaCa2Al2(As+++++O4)2F4(OH)•2(H2O) |
| 2.966(30.10) | 100 | 5.940(14.90) | 100 | 3.100(28.77) | 90 | Ferritungstite | (K,Ca,Na)(W++++++,Fe+++)2(O,OH)6•(H2O) |
| 2.966(30.10) | 100 | 11.299(7.82) | 95 | 2.847(31.40) | 81 | Johnsenite-(Ce) | Na12(Ce,REE,Sr)3Ca6Mn3Zr3W(Si25O73)(CO3)(OH,Cl)2 |
| 2.966(30.10) | 100 | 2.847(31.40) | 95 | 9.452(9.35) | 81 | Johnsenite-(Ce) | Na12(Ce,REE,Sr)3Ca6Mn3Zr3W(Si25O73)(CO3)(OH,Cl)2 |
| 2.967(30.09) | 100 | 1.848(49.27) | 90 | 1.569(58.80) | 90 | Bismutopyrochlore | (Bi,U,Ca,Pb)1+x(Nb,Ta)2O6(OH)•n(H2O) |
| 2.967(30.09) | 100 | 1.569(58.80) | 90 | 1.848(49.27) | 90 | Bismutopyrochlore | (Bi,U,Ca,Pb)1+x(Nb,Ta)2O6(OH)•n(H2O) |
| 2.967(30.09) | 100 | 2.625(34.13) | 90 | 5.340(16.59) | 80 | Tatarskite | Ca6Mg2(SO4)2(CO3)2Cl4(OH)4•7(H2O) |
| 2.967(30.09) | 100 | 2.834(31.54) | 80 | 2.408(37.31) | 65 | Montroydite | HgO |
| 2.967(30.09) | 100 | 15.667(5.64) | 87 | 2.610(34.33) | 56 | Gatelite-(Ce) | (Ca,Ce,La,Nd)4(Al,Mg,Fe)4[Si2O7][SiO4]3(O,F,OH)3 |
| 2.968(30.08) | 100 | 3.144(28.36) | 77 | 3.028(29.47) | 45 | Proshchenkoite-(Y) | (Y,REE,Ca,Na,Mn)15Fe++Ca(P,Si)Si6B3(O,F)48 |
| 2.968(30.08) | 100 | 2.847(31.40) | 98 | 3.391(26.26) | 51 | Ferrokentbrooksite | Na15Ca6(Fe,Mn)3Zr3NbSi25O73(O,OH,H2O)3(Cl,F,OH)2 |
| 2.968(30.08) | 100 | 3.164(28.18) | 90 | 4.672(18.98) | 70 | Montebrasite | LiAl(PO4)(OH,F) |
| 2.969(30.07) | 100 | 1.863(48.85) | 80 | 2.867(31.17) | 60 | Kuannersuite-(Ce) | Ba6Na2REE2(PO4)6FCl |
| 2.969(30.07) | 100 | 2.587(34.65) | 60 | 2.782(32.15) | 60 | Yeatmanite | Mn++9Zn6Sb+++++2Si4O28 |
| 2.969(30.07) | 100 | 1.965(46.16) | 80 | 1.863(48.85) | 60 | Kuannersuite-(Ce) | Ba6Na2REE2(PO4)6FCl |
| 2.969(30.07) | 100 | 2.782(32.15) | 60 | 2.587(34.65) | 60 | Yeatmanite | Mn++9Zn6Sb+++++2Si4O28 |
| 2.969(30.07) | 100 | 2.895(30.86) | 100 | 2.755(32.47) | 70 | Scandiobabingtonite | Ca2(Fe++,Mn)ScSi5O14(OH) |
| 2.969(30.07) | 100 | 3.429(25.96) | 84 | 2.099(43.06) | 57 | Galena | PbS |
| 2.970(30.06) | 100 | 5.420(16.34) | 80 | 5.890(15.03) | 60 | Demesmaekerite | Pb2Cu5(UO2)2(SeO3)6(OH)6•2(H2O) |
| 2.970(30.06) | 100 | 3.140(28.40) | 100 | 3.330(26.75) | 100 | Magniotriplite | (Mg,Fe++,Mn)2(PO4)F |
| 2.970(30.06) | 100 | 1.540(60.02) | 70 | 3.580(24.85) | 60 | Kolicite | Mn7Zn4(AsO4)2(SiO4)2(OH)8 |
| 2.970(30.06) | 100 | 1.820(50.08) | 60 | 1.550(59.60) | 30 | Goldfieldite | Cu12(Te,Sb,As)4S13 |
| 2.970(30.06) | 100 | 3.520(25.28) | 80 | 3.830(23.20) | 80 | Wollastonite-2M | CaSiO3 |
| 2.970(30.06) | 100 | 4.160(21.34) | 50 | 2.493(36.00) | 40 | Ferrowodginite | Fe++SnTa2O8 |
| 2.970(30.06) | 100 | 4.316(20.56) | 85 | 2.848(31.38) | 84 | Voronkovite | Na15(Na,Ca,Ce)3(Mn,Ca)3Fe3Zr3Si26O72(OH,O)4Cl•H2O |
| 2.970(30.06) | 100 | 4.910(18.05) | 75 | 2.231(40.40) | 51 | Huangite | Ca0.5Al3(SO4)2(OH)6 |
| 2.970(30.06) | 100 | 3.060(29.16) | 90 | 1.600(57.56) | 80 | Natroniobite | NaNbO3 |
| 2.970(30.06) | 100 | 5.730(15.45) | 80 | 3.510(25.35) | 60 | Plumbogummite | PbAl3(PO4)2(OH)5•(H2O) |
| 2.970(30.06) | 100 | 7.850(11.26) | 90 | 3.870(22.96) | 80 | Yavapaiite | KFe+++(SO4)2 |
| 2.970(30.06) | 100 | 3.011(29.64) | 80 | 3.375(26.39) | 60 | Rankamaite | (Na,K,Pb,Li)3(Ta,Nb,Al)11(O,OH)30 |
| 2.970(30.06) | 100 | 2.939(30.39) | 95 | 2.926(30.53) | 50 | Okanoganite-(Y) | (Na,Ca)3(Y,Ce)12Si6B2O27F14 |
| 2.970(30.06) | 100 | 1.830(49.79) | 70 | 2.870(31.14) | 70 | Seidozerite | (Na,Ca)2(Zr,Ti,Mn)2Si2O7(O,F)2 |
| 2.970(30.06) | 100 | 1.820(50.08) | 50 | 1.550(59.60) | 40 | Zirconolite-3O | (Ca,Fe,Y,Th)2Fe(Ti,Nb)3Zr2O7 |
| 2.970(30.06) | 100 | 2.003(45.23) | 100 | 1.778(51.35) | 80 | Michenerite | (Pd,Pt)BiTe |
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