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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.
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 2.777(32.21) | 100 | 1.863(48.85) | 95 | 2.513(35.70) | 65 | Millerite | NiS |
| 2.778(32.20) | 100 | 2.658(33.69) | 100 | 2.887(30.95) | 84 | Barentsite | Na7AlH2(CO3)4F4 |
| 2.778(32.20) | 100 | 2.159(41.80) | 90 | 1.815(50.22) | 70 | Achavalite | FeSe |
| 2.779(32.18) | 100 | 2.566(34.94) | 90 | 3.220(27.68) | 90 | Pyrargyrite | Ag3SbS3 |
| 2.779(32.18) | 100 | 2.861(31.24) | 60 | 1.836(49.61) | 20 | Apatite-(CaCl) | Ca5(PO4)3Cl |
| 2.779(32.18) | 100 | 3.108(28.70) | 44 | 1.662(55.22) | 40 | Schaferite | NaCa2Mg2(VO4)3 |
| 2.779(32.18) | 100 | 3.220(27.68) | 90 | 2.566(34.94) | 90 | Pyrargyrite | Ag3SbS3 |
| 2.780(32.17) | 100 | 4.690(18.91) | 80 | 4.370(20.30) | 80 | Phosphosiderite | Fe+++PO4•2(H2O) |
| 2.780(32.17) | 100 | 6.120(14.46) | 90 | 3.700(24.03) | 90 | Tarbuttite | Zn2(PO4)(OH) |
| 2.780(32.17) | 100 | 3.200(27.86) | 80 | 3.070(29.06) | 80 | Roselite-beta | Ca2(Co,Mg)(AsO4)2•2(H2O) |
| 2.780(32.17) | 100 | 1.721(53.18) | 90 | 2.320(38.78) | 70 | Malinkoite | NaBSiO4 |
| 2.780(32.17) | 100 | 2.611(34.32) | 40 | 3.202(27.84) | 40 | Yazganite | NaFe+++2(Mg,Mn)(AsO4)3•H2O |
| 2.780(32.17) | 100 | 3.780(23.52) | 80 | 2.580(34.74) | 80 | Burkeite | Na6(CO3)(SO4)2 |
| 2.780(32.17) | 100 | 5.900(15.00) | 50 | 2.140(42.19) | 50 | Berndtite | SnS2 |
| 2.780(32.17) | 100 | 3.200(27.86) | 80 | 1.714(53.41) | 80 | Roselite-beta | Ca2(Co,Mg)(AsO4)2•2(H2O) |
| 2.780(32.17) | 100 | 1.948(46.58) | 100 | 3.430(25.96) | 75 | Bastnasite-(Y) | Y(CO3)F |
| 2.780(32.17) | 100 | 4.020(22.09) | 50 | 3.130(28.49) | 50 | Tritomite-(Y) | (Y,Ca,La,Fe++)5(Si,B,Al)3(O,OH,F)13 (?) |
| 2.780(32.17) | 100 | 2.610(34.33) | 100 | 3.780(23.52) | 100 | Hanksite | KNa22(SO4)9(CO3)2Cl |
| 2.780(32.17) | 100 | 2.720(32.90) | 100 | 3.060(29.16) | 80 | Tundrite-(Ce) | Na2Ce2TiO2(SiO4)(CO3)2 |
| 2.780(32.17) | 100 | 3.460(25.73) | 50 | 1.940(46.79) | 50 | Cappelenite-(Y) | Ba(Y,Ce)6Si3B6O24F2 |
| 2.780(32.17) | 100 | 2.140(42.19) | 50 | 5.900(15.00) | 50 | Berndtite | SnS2 |
| 2.780(32.17) | 100 | 1.922(47.25) | 90 | 2.670(33.54) | 80 | Kurchatovite | Ca(Mg,Mn,Fe++)B2O5 |
| 2.780(32.17) | 100 | 1.940(46.79) | 50 | 3.460(25.73) | 50 | Cappelenite-(Y) | Ba(Y,Ce)6Si3B6O24F2 |
| 2.780(32.17) | 100 | 2.216(40.68) | 90 | 1.721(53.18) | 70 | Malinkoite | NaBSiO4 |
| 2.780(32.17) | 100 | 2.570(34.88) | 90 | 1.745(52.39) | 80 | Pyrophanite | MnTiO3 |
| 2.780(32.17) | 100 | 2.580(34.74) | 80 | 3.780(23.52) | 80 | Burkeite | Na6(CO3)(SO4)2 |
| 2.780(32.17) | 100 | 2.590(34.60) | 50 | 2.330(38.61) | 40 | Jimboite | Mn3B2O6 |
| 2.780(32.17) | 100 | 2.960(30.17) | 80 | 5.590(15.84) | 65 | Hinsdalite | (Pb,Sr)Al3(PO4)(SO4)(OH)6 |
| 2.780(32.17) | 100 | 3.130(28.49) | 50 | 4.020(22.09) | 50 | Tritomite-(Y) | (Y,Ca,La,Fe++)5(Si,B,Al)3(O,OH,F)13 (?) |
| 2.780(32.17) | 100 | 3.202(27.84) | 40 | 2.611(34.32) | 40 | Yazganite | NaFe+++2(Mg,Mn)(AsO4)3•H2O |
| 2.780(32.17) | 100 | 3.700(24.03) | 90 | 6.120(14.46) | 90 | Tarbuttite | Zn2(PO4)(OH) |
| 2.780(32.17) | 100 | 4.370(20.30) | 80 | 4.690(18.91) | 80 | Phosphosiderite | Fe+++PO4•2(H2O) |
| 2.780(32.17) | 100 | 8.350(10.59) | 90 | 1.730(52.88) | 80 | Nanlingite | CaMg4(AsO3)2F4 |
| 2.780(32.17) | 100 | 1.714(53.41) | 80 | 3.200(27.86) | 80 | Roselite-beta | Ca2(Co,Mg)(AsO4)2•2(H2O) |
| 2.781(32.16) | 100 | 3.080(28.97) | 80 | 2.750(32.53) | 70 | Gaitite | Ca2Zn(AsO4)2•2(H2O) |
| 2.782(32.15) | 100 | 3.751(23.70) | 81 | 2.876(31.07) | 77 | Catalanoite | Na2H(PO4)• 8(H2O) |
| 2.783(32.14) | 100 | 4.660(19.03) | 73 | 3.178(28.05) | 51 | Thenardite | Na2SO4 |
| 2.783(32.14) | 100 | 3.000(29.76) | 68 | 2.950(30.27) | 63 | Byelorussite-(Ce) | NaBa2(Ce,La)2Mn++Ti2Si8O26(F,OH)•(H2O) |
| 2.783(32.14) | 100 | 2.764(32.36) | 100 | 2.733(32.74) | 100 | Rheniite | ReS2 |
| 2.786(32.10) | 100 | 3.600(24.71) | 90 | 1.559(59.22) | 50 | Bicchulite | Ca2Al2SiO6(OH)2 |
| 2.787(32.09) | 100 | 2.649(33.81) | 100 | 3.070(29.06) | 90 | Hatrurite | Ca3SiO5 |
| 2.788(32.08) | 100 | 3.943(22.53) | 70 | 2.276(39.56) | 65 | Shandite | Pb2Ni3S2 |
| 2.789(32.07) | 100 | 3.210(27.77) | 80 | 1.685(54.41) | 80 | Fukuchilite | Cu3FeS8 |
| 2.789(32.07) | 100 | 1.685(54.41) | 80 | 3.210(27.77) | 80 | Fukuchilite | Cu3FeS8 |
| 2.790(32.05) | 100 | 2.300(39.13) | 60 | 2.390(37.60) | 60 | Hauchecornite | Ni9Bi(Sb,Bi)S8 |
| 2.790(32.05) | 100 | 3.610(24.64) | 80 | 2.560(35.02) | 80 | Phosgenite | Pb2(CO3)Cl2 |
| 2.790(32.05) | 100 | 4.150(21.39) | 80 | 4.000(22.21) | 80 | Vladimirite | Ca5(AsO3OH)2(AsO4)2•5(H2O) |
| 2.790(32.05) | 100 | 4.000(22.21) | 80 | 4.150(21.39) | 80 | Vladimirite | Ca5(AsO3OH)2(AsO4)2•5(H2O) |
| 2.790(32.05) | 100 | 3.520(25.28) | 80 | 3.680(24.16) | 70 | Galeite | Na15(SO4)5F4Cl |
| 2.790(32.05) | 100 | 3.390(26.27) | 50 | 4.020(22.09) | 30 | IMA2009-002 | Cu3(AsO4)2 |
| 2.790(32.05) | 100 | 2.560(35.02) | 80 | 3.610(24.64) | 80 | Phosgenite | Pb2(CO3)Cl2 |
| 2.790(32.05) | 100 | 1.734(52.75) | 80 | 3.590(24.78) | 60 | Siderite | Fe++CO3 |
| 2.790(32.05) | 100 | 2.390(37.60) | 60 | 2.300(39.13) | 60 | Hauchecornite | Ni9Bi(Sb,Bi)S8 |
| 2.793(32.02) | 100 | 3.710(23.97) | 90 | 3.490(25.50) | 90 | Kuliokite-(Y) | (Y,REE)4Al(SiO4)2(OH)2F5 |
| 2.793(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 |
| 2.794(32.01) | 100 | 3.028(29.47) | 80 | 3.006(29.70) | 80 | Brenkite | Ca2(CO3)F2 |
| 2.794(32.01) | 100 | 3.006(29.70) | 80 | 3.028(29.47) | 80 | Brenkite | Ca2(CO3)F2 |
| 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) |
| 2.795(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) |
| 2.796(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 | 9.870(8.95) | 96 | 3.450(25.80) | 90 | Nabalamprophyllite | Ba(Na,Ba){Na3Ti[Ti2O2Si4O14](OH,F)2} |
| 2.797(31.97) | 100 | 3.440(25.88) | 80 | 6.570(13.47) | 80 | Natrochalcite | NaCu2(SO4)2(OH)•(H2O) |
| 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 | 3.800(23.39) | 100 | 5.850(15.13) | 35 | Bazirite | BaZrSi3O9 |
| 2.800(31.94) | 3.110(28.68) | 4.030(22.04) | Suolunite | Ca2Si2O5(OH)2•(H2O) | |||
| 2.800(31.94) | 100 | 1.856(49.04) | 100 | 3.500(25.43) | 100 | Plattnerite | PbO2 |
| 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 | 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 | 2.560(35.02) | 90 | 1.670(54.94) | 80 | Manganberzeliite | (Ca,Na)3(Mn,Mg)2(AsO4)3 |
| 2.800(31.94) | 100 | 2.314(38.89) | 60 | 2.405(37.36) | 50 | Tellurohauchecornite | Ni9BiTeS8 |
| 2.800(31.94) | 100 | 1.945(46.66) | 30 | 3.710(23.97) | 30 | Nadorite | PbSbO2Cl |
| 2.800(31.94) | 100 | 3.710(23.97) | 30 | 1.945(46.66) | 30 | Nadorite | PbSbO2Cl |
| 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 | 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 | 3.000(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 |
| 2.801(31.92) | 100 | 2.787(32.09) | 80 | 7.310(12.10) | 80 | Ponomarevite | K4Cu++4OCl10 |
| 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 | 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 | Strontiojoaquinite | (Na,Fe++)2Ba2Sr2Ti2[Si4O12]2(O,OH)2•(H2O) |
| 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 | 2.637(33.97) | 100 | 3.171(28.12) | 100 | Austinite | CaZn(AsO4)(OH) |
| 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 | 2.613(34.29) | 80 | 1.766(51.72) | 80 | Melanostibite | Mn(Sb+++++,Fe+++)O3 |
| 2.806(31.87) | 100 | 1.766(51.72) | 80 | 2.613(34.29) | 80 | Melanostibite | Mn(Sb+++++,Fe+++)O3 |
| 2.807(31.85) | 100 | 3.384(26.31) | 95 | 3.117(28.61) | 90 | Dansite | Na21Mg(SO4)10Cl3 |
| 2.807(31.85) | 100 | 3.690(24.10) | 97 | 3.640(24.43) | 95 | Kudriavite | (Cd,Pb)Bi2S4 |
| 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 | 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 | 3.027(29.48) | 100 | 3.108(28.70) | 100 | Calciocopiapite | CaFe+++4(SO4)6(OH)2•19(H2O) |
| 2.810(31.82) | 100 | 1.830(49.79) | 100 | 3.090(28.87) | 100 | Plombierite | Ca5H2Si6O18•6H2O |