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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 |
| 2.752(32.51) | 100 | 2.593(34.56) | 80 | 1.621(56.74) | 60 | Vesuvianite | Ca10Mg2Al4(SiO4)5(Si2O7)2(OH)4 |
| 2.752(32.51) | 100 | 2.947(30.30) | 90 | 3.520(25.28) | 90 | Sartorite | PbAs2S4 |
| 2.752(32.51) | 100 | 3.520(25.28) | 90 | 2.947(30.30) | 90 | Sartorite | PbAs2S4 |
| 2.752(32.51) | 100 | 2.726(32.83) | 98 | 3.198(27.87) | 68 | Dingdaohengite-(Ce) | (Ce,La)4Fe++(Ti,Fe++,Mg,Fe+++)2Ti2Si4O22 |
| 2.753(32.50) | 100 | 3.015(29.60) | 80 | 2.910(30.70) | 80 | Wicksite | NaCa2(Fe++,Mn++)4MgFe+++(PO4)6•2(H2O) |
| 2.753(32.50) | 100 | 3.694(24.07) | 100 | 2.960(30.17) | 100 | Chladniite | Na2Ca(Mg,Fe++)7(PO4)6 |
| 2.753(32.50) | 100 | 2.960(30.17) | 100 | 3.694(24.07) | 100 | Chladniite | Na2Ca(Mg,Fe++)7(PO4)6 |
| 2.753(32.50) | 100 | 2.910(30.70) | 80 | 3.015(29.60) | 80 | Wicksite | NaCa2(Fe++,Mn++)4MgFe+++(PO4)6•2(H2O) |
| 2.754(32.48) | 100 | 2.544(35.25) | 70 | 1.726(53.01) | 55 | Ilmenite | Fe++TiO3 |
| 2.756(32.46) | 100 | 3.320(26.83) | 90 | 3.430(25.96) | 70 | Molybdomenite | PbSeO3 |
| 2.757(32.45) | 100 | 2.717(32.94) | 100 | 4.040(21.98) | 80 | Soucekite | PbCuBi(S,Se)3 |
| 2.759(32.42) | 100 | 2.970(30.06) | 39 | 3.601(24.70) | 37 | Meliphanite | (Ca,Na)2Be[(Si,Al)2O6(F,OH)] |
| 2.760(32.41) | 100 | 2.710(33.03) | 100 | 3.900(22.78) | 60 | Hematophanite | Pb4Fe+++3O8(OH,Cl) |
| 2.760(32.41) | 100 | 2.380(37.77) | 80 | 2.280(39.49) | 80 | Tucekite | Ni9Sb2S8 |
| 2.760(32.41) | 100 | 3.900(22.78) | 85 | 1.950(46.53) | 70 | Lueshite | NaNbO3 |
| 2.760(32.41) | 100 | 3.761(23.64) | 90 | 1.991(45.52) | 70 | IMA2003-019 | Na6Sr12Ba2Zr13Si39B4O123(OH)6 •20(H2O) |
| 2.760(32.41) | 100 | 1.840(49.50) | 80 | 2.700(33.15) | 60 | Nisbite | NiSb2 |
| 2.760(32.41) | 100 | 2.280(39.49) | 80 | 2.380(37.77) | 80 | Tucekite | Ni9Sb2S8 |
| 2.760(32.41) | 100 | 2.770(32.29) | 100 | 1.952(46.48) | 50 | Tausonite | SrTiO3 |
| 2.760(32.41) | 100 | 2.950(30.27) | 70 | 1.630(56.40) | 65 | Khibinskite | K2ZrSi2O7 |
| 2.760(32.41) | 100 | 3.230(27.59) | 70 | 2.500(35.89) | 60 | Clinohedrite | CaZnSiO4•(H2O) |
| 2.760(32.41) | 100 | 3.520(25.28) | 80 | 3.790(23.45) | 70 | Schairerite | Na21(SO4)7F6Cl |
| 2.763(32.38) | 100 | 2.257(39.91) | 58 | 2.004(45.21) | 58 | Katoite | Ca3Al2(SiO4)3-x(OH)4x x=1.5-3 |
| 2.763(32.38) | 100 | 2.842(31.45) | 100 | 1.982(45.74) | 63 | Olgite | Na(Sr,Ba)PO4 |
| 2.763(32.38) | 100 | 2.004(45.21) | 58 | 2.257(39.91) | 58 | Katoite | Ca3Al2(SiO4)3-x(OH)4x x=1.5-3 |
| 2.763(32.38) | 100 | 1.689(54.27) | 80 | 2.384(37.70) | 70 | Mcalpineite | Cu++3Te++++++O6•(H2O) |
| 2.763(32.38) | 100 | 2.390(37.60) | 100 | 3.739(23.78) | 80 | Buckhornite | AuPb2BiTe2S3 |
| 2.764(32.36) | 100 | 3.700(24.03) | 70 | 3.550(25.06) | 70 | Johnsomervilleite | Na2Ca(Mg,Fe++,Mn)7(PO4)6 |
| 2.764(32.36) | 100 | 1.847(49.30) | 90 | 16.100(5.48) | 70 | Minehillite | (K,Na)2-3Ca28(Zn4Al4Si40)O112(OH)16 |
| 2.764(32.36) | 100 | 3.053(29.23) | 95 | 3.556(25.02) | 70 | Stibnite | Sb2S3 |
| 2.764(32.36) | 100 | 3.550(25.06) | 70 | 3.700(24.03) | 70 | Johnsomervilleite | Na2Ca(Mg,Fe++,Mn)7(PO4)6 |
| 2.764(32.36) | 100 | 3.560(24.99) | 40 | 2.229(40.43) | 35 | Trimerite | CaMn2Be3(SiO4)3 |
| 2.764(32.36) | 100 | 5.466(16.20) | 55 | 2.266(39.75) | 36 | Herbertsmithite | Cu3Zn(OH)6Cl2 |
| 2.764(32.36) | 100 | 6.520(13.57) | 100 | 3.290(27.08) | 80 | Kainosite-(Y) | Ca2(Y,Ce)2Si4O12(CO3)•(H2O) |
| 2.764(32.36) | 100 | 2.733(32.74) | 100 | 2.783(32.14) | 100 | Rheniite | ReS2 |
| 2.765(32.35) | 100 | 1.953(46.46) | 53 | 3.915(22.69) | 35 | Isolueshite | (Na,La,Ca)(Nb,Ti)O3 |
| 2.765(32.35) | 100 | 1.709(53.58) | 70 | 1.485(62.49) | 70 | Gugiaite | Ca2BeSi2O7 |
| 2.765(32.35) | 100 | 1.485(62.49) | 70 | 1.709(53.58) | 70 | Gugiaite | Ca2BeSi2O7 |
| 2.766(32.34) | 100 | 2.902(30.79) | 100 | 3.164(28.18) | 60 | Damaraite | Pb3O2(OH)Cl |
| 2.767(32.33) | 100 | 2.831(31.58) | 100 | 4.620(19.20) | 90 | Clearcreekite | Hg+3(CO3)(OH)•2(H2O) |
| 2.768(32.32) | 100 | 2.523(35.55) | 40 | 3.236(27.54) | 39 | Stringhamite | CaCuSiO4•2(H2O) |
| 2.768(32.32) | 100 | 2.746(32.58) | 100 | 2.461(36.48) | 80 | Imiterite | Ag2HgS2 |
| 2.768(32.32) | 100 | 2.372(37.90) | 60 | 2.753(32.50) | 55 | Thermonatrite | Na2CO3•(H2O) |
| 2.768(32.32) | 100 | 3.479(25.58) | 82 | 5.540(15.98) | 79 | Krasnovite | Ba(Al,Mg)(PO4,CO3)(OH)2•(H2O) |
| 2.768(32.32) | 100 | 2.873(31.10) | 100 | 4.251(20.88) | 100 | Vuonnemite | Na11Nb2TiSi4O12(PO4)2O5F2 |
| 2.768(32.32) | 100 | 4.251(20.88) | 100 | 2.873(31.10) | 100 | Vuonnemite | Na11Nb2TiSi4O12(PO4)2O5F2 |
| 2.768(32.32) | 100 | 2.927(30.52) | 78 | 3.006(29.70) | 67 | Bederite | ([ ],Na)Ca2(Mn++,Mg,Fe++)2(Fe+++,Mg++,Al)2Mn++2(PO4)6•2(H2O) |
| 2.770(32.29) | 100 | 2.760(32.41) | 100 | 1.952(46.48) | 50 | Tausonite | SrTiO3 |
| 2.770(32.29) | 100 | 2.740(32.65) | 100 | 1.870(48.65) | 90 | Ruarsite | RuAsS |
| 2.770(32.29) | 100 | 1.598(57.64) | 80 | 1.679(54.62) | 70 | Quadratite | Ag(Cd,Pb)AsS3 |
| 2.770(32.29) | 100 | 2.630(34.06) | 100 | 1.620(56.78) | 70 | Magnetoplumbite | Pb(Fe+++,Mn+++)12O19 |
| 2.770(32.29) | 100 | 1.556(59.34) | 80 | 2.970(30.06) | 70 | Froodite | PdBi2 |
| 2.770(32.29) | 100 | 2.120(42.61) | 80 | 2.030(44.60) | 70 | Petzite | Ag3AuTe2 |
| 2.770(32.29) | 100 | 2.630(34.06) | 50 | 2.390(37.60) | 40 | Petrovskaite | AuAg(S,Se) |
| 2.770(32.29) | 100 | 3.070(29.06) | 100 | 3.210(27.77) | 80 | Talmessite | Ca2Mg(AsO4)2•2(H2O) |
| 2.770(32.29) | 100 | 1.960(46.28) | 80 | 1.598(57.64) | 70 | Quadratite | Ag(Cd,Pb)AsS3 |
| 2.770(32.29) | 100 | 3.720(23.90) | 76 | 2.370(37.93) | 63 | Eldfellite | NaFe(SO4)2 |
| 2.770(32.29) | 100 | 8.120(10.89) | 90 | 4.050(21.93) | 80 | Keystoneite | Mg0.5[Ni++Fe++(TeO3)3]•4.5(H2O) |
| 2.771(32.28) | 100 | 3.520(25.28) | 26 | 1.879(48.40) | 26 | Arsenic | As |
| 2.771(32.28) | 100 | 2.381(37.75) | 90 | 2.284(39.42) | 80 | Arsenohauchecornite | Ni18Bi3AsS16 |
| 2.771(32.28) | 100 | 1.879(48.40) | 26 | 3.520(25.28) | 26 | Arsenic | As |
| 2.772(32.27) | 100 | 2.735(32.72) | 100 | 2.324(38.71) | 30 | Tillmannsite | (Ag3Hg)(V,As)O4 |
| 2.772(32.27) | 100 | 2.980(29.96) | 65 | 2.924(30.55) | 65 | Rhodonite | (Mn++,Fe++,Mg,Ca)SiO3 |
| 2.772(32.27) | 100 | 2.508(35.77) | 80 | 2.290(39.31) | 80 | Nefedovite | Na5Ca4(PO4)4F |
| 2.772(32.27) | 100 | 2.290(39.31) | 80 | 2.508(35.77) | 80 | Nefedovite | Na5Ca4(PO4)4F |
| 2.772(32.27) | 100 | 2.924(30.55) | 65 | 2.980(29.96) | 65 | Rhodonite | (Mn++,Fe++,Mg,Ca)SiO3 |
| 2.773(32.26) | 100 | 3.430(25.96) | 55 | 2.130(42.40) | 45 | Lamprophyllite | Na2(Sr,Ba)2Ti3(SiO4)4(OH,F)2 |
| 2.774(32.24) | 100 | 1.962(46.23) | 50 | 3.200(27.86) | 50 | Chlorargyrite | AgCl |
| 2.774(32.24) | 100 | 2.800(31.94) | 97 | 3.847(23.10) | 89 | Chesnokovite | Na2[SiO2(OH)2]•8H2O |
| 2.774(32.24) | 100 | 2.839(31.49) | 100 | 3.964(22.41) | 60 | Bario-olgite | Na(Ba,Sr,Na,REE)PO4 |
| 2.774(32.24) | 100 | 3.200(27.86) | 50 | 1.962(46.23) | 50 | Chlorargyrite | AgCl |
| 2.774(32.24) | 100 | 2.952(30.25) | 55 | 2.924(30.55) | 38 | Armangite | Mn26As+++18O50(OH)4(CO3) |
| 2.774(32.24) | 100 | 2.993(29.83) | 90 | 2.541(35.29) | 70 | Jeffreyite | (Ca,Na)2(Be,Al)Si2(O,OH)7 |
| 2.774(32.24) | 100 | 3.730(23.84) | 100 | 3.230(27.59) | 90 | Merrihueite | (K,Na)2(Fe++,Mg)5Si12O30 |
| 2.776(32.22) | 100 | 3.010(29.65) | 100 | 6.160(14.37) | 100 | Ungursaite | NaCa5(Ta,Nb)24O65(OH) |
| 2.776(32.22) | 100 | 2.491(36.03) | 61 | 2.617(34.24) | 61 | Wiluite | Ca19(Al,Mg,Fe,Ti)13(B,Al,[ ])5Si18O68(O,OH)10 |
| 2.776(32.22) | 100 | 2.617(34.24) | 61 | 2.491(36.03) | 61 | Wiluite | Ca19(Al,Mg,Fe,Ti)13(B,Al,[ ])5Si18O68(O,OH)10 |
| 2.776(32.22) | 100 | 6.160(14.37) | 100 | 3.010(29.65) | 100 | Ungursaite | NaCa5(Ta,Nb)24O65(OH) |
| 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 | 3.220(27.68) | 90 | 2.566(34.94) | 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 |
| 2.780(32.17) | 100 | 2.720(32.90) | 100 | 3.060(29.16) | 80 | Tundrite-(Ce) | Na2Ce2TiO2(SiO4)(CO3)2 |
| 2.780(32.17) | 100 | 1.948(46.58) | 100 | 3.430(25.96) | 75 | Bastnasite-(Y) | Y(CO3)F |
| 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 | 1.714(53.41) | 80 | 3.200(27.86) | 80 | Roselite-beta | Ca2(Co,Mg)(AsO4)2•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 | 3.202(27.84) | 40 | 2.611(34.32) | 40 | Yazganite | NaFe+++2(Mg,Mn)(AsO4)3•H2O |
| 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 | 2.960(30.17) | 80 | 5.590(15.84) | 65 | Hinsdalite | (Pb,Sr)Al3(PO4)(SO4)(OH)6 |
| 2.780(32.17) | 100 | 2.570(34.88) | 90 | 1.745(52.39) | 80 | Pyrophanite | MnTiO3 |
| 2.780(32.17) | 100 | 2.216(40.68) | 90 | 1.721(53.18) | 70 | Malinkoite | NaBSiO4 |
| 2.780(32.17) | 100 | 3.700(24.03) | 90 | 6.120(14.46) | 90 | Tarbuttite | Zn2(PO4)(OH) |
| 2.780(32.17) | 100 | 2.140(42.19) | 50 | 5.900(15.00) | 50 | Berndtite | SnS2 |
| 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 | 1.922(47.25) | 90 | 2.670(33.54) | 80 | Kurchatovite | Ca(Mg,Mn,Fe++)B2O5 |
| 2.780(32.17) | 100 | 4.370(20.30) | 80 | 4.690(18.91) | 80 | Phosphosiderite | Fe+++PO4•2(H2O) |