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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 |
| 3.499(25.43) | 100 | 2.702(33.13) | 100 | 4.644(19.10) | 55 | Pucherite | BiVO4 |
| 3.499(25.43) | 100 | 3.135(28.45) | 40 | 4.900(18.09) | 35 | Szmikite | MnSO4•(H2O) |
| 3.500(25.43) | 100 | 4.810(18.43) | 100 | 4.300(20.64) | 100 | Halotrichite | Fe++Al2(SO4)4•22(H2O) |
| 3.500(25.43) | 100 | 2.850(31.36) | 50 | 2.340(38.44) | 50 | Koenenite | Na4Mg4Cl12•Mg5Al4(OH)22 |
| 3.500(25.43) | 100 | 3.190(27.95) | 100 | 2.070(43.69) | 100 | Banalsite | BaNa2Al4Si4O16 |
| 3.500(25.43) | 100 | 2.800(31.94) | 100 | 1.856(49.04) | 100 | Plattnerite | PbO2 |
| 3.500(25.43) | 100 | 10.560(8.37) | 100 | 2.780(32.17) | 80 | Nalivkinite | Li2NaFe++7Ti2Si8O24(OH)4F |
| 3.500(25.43) | 100 | 4.760(18.63) | 85 | 4.580(19.36) | 65 | Mendozite | NaAl(SO4)2•11(H2O) |
| 3.500(25.43) | 100 | 4.300(20.64) | 100 | 4.810(18.43) | 100 | Halotrichite | Fe++Al2(SO4)4•22(H2O) |
| 3.500(25.43) | 100 | 4.150(21.39) | 55 | 2.670(33.54) | 40 | Lindgrenite | Cu3(MoO4)2(OH)2 |
| 3.500(25.43) | 100 | 2.030(44.60) | 90 | 2.490(36.04) | 90 | Olekminskite | Sr(Sr,Ca,Ba)(CO3)2 |
| 3.500(25.43) | 100 | 2.340(38.44) | 50 | 2.850(31.36) | 50 | Koenenite | Na4Mg4Cl12•Mg5Al4(OH)22 |
| 3.500(25.43) | 100 | 2.773(32.26) | 90 | 2.961(30.16) | 80 | Hydroromarchite | Sn3O2(OH)2 |
| 3.500(25.43) | 100 | 2.800(31.94) | 70 | 2.660(33.67) | 50 | Zircophyllite | K2(Na,Ca)(Mn,Fe++)7(Zr,Nb)2Si8O26(OH)4F |
| 3.500(25.43) | 100 | 3.030(29.45) | 80 | 2.610(34.33) | 60 | Yoderite | Mg2(Al,Fe+++)6Si4O18(OH)2 |
| 3.500(25.43) | 100 | 2.490(36.04) | 90 | 2.030(44.60) | 90 | Olekminskite | Sr(Sr,Ca,Ba)(CO3)2 |
| 3.500(25.43) | 2.889(30.93) | 2.865(31.19) | Vanadoandrosite-(Ce) | (Mn++,Ca)(REE)V+++AlMn++(Si2O7)(SiO4)O(OH) | |||
| 3.502(25.41) | 100 | 2.033(44.53) | 40 | 5.820(15.21) | 35 | Millosevichite | (Al,Fe+++)2(SO4)3 |
| 3.503(25.41) | 100 | 2.516(35.66) | 19 | 4.633(19.14) | 15 | Serrabrancaite | MnPO4•(H2O) |
| 3.505(25.39) | 100 | 4.706(18.84) | 100 | 4.767(18.60) | 100 | Acuminite | SrAlF4(OH)•(H2O) |
| 3.505(25.39) | 100 | 4.767(18.60) | 100 | 4.706(18.84) | 100 | Acuminite | SrAlF4(OH)•(H2O) |
| 3.505(25.39) | 100 | 3.006(29.70) | 100 | 6.200(14.27) | 100 | Grumantite | NaHSi2O5•(H2O) |
| 3.505(25.39) | 100 | 6.608(13.39) | 78 | 5.270(16.81) | 60 | Uklonskovite | NaMg(SO4)F•2(H2O) |
| 3.506(25.38) | 100 | 10.520(8.40) | 90 | 2.778(32.20) | 80 | Niobophyllite | K2Na(Fe++,Mn)7(Nb,Ti)2Si8O26(OH)4(F,O) |
| 3.507(25.38) | 100 | 3.441(25.87) | 100 | 4.020(22.09) | 100 | Nalipoite | NaLi2PO4 |
| 3.510(25.35) | 100 | 2.920(30.59) | 100 | 3.720(23.90) | 100 | Neyite | AgCu3Pb12.5Bi13S34 |
| 3.510(25.35) | 100 | 3.032(29.43) | 100 | 8.790(10.05) | 80 | Piretite | Ca(UO2)3(SeO3)2(OH)4-4(H2O) |
| 3.510(25.35) | 100 | 2.920(30.59) | 90 | 2.140(42.19) | 90 | Lillianite | Pb3Bi2S6 |
| 3.510(25.35) | 100 | 3.022(29.53) | 100 | 2.615(34.26) | 90 | Davanite | K2TiSi6O15 |
| 3.510(25.35) | 100 | 2.640(33.93) | 100 | 2.570(34.88) | 50 | Kupletskite | K2Na(Mn,Fe++)7(Ti,Nb)2Si8O26(OH)4F |
| 3.510(25.35) | 100 | 2.900(30.81) | 90 | 3.470(25.65) | 80 | Brookite | TiO2 |
| 3.510(25.35) | 100 | 2.687(33.32) | 70 | 2.780(32.17) | 60 | Ericssonite | BaMn++2Fe+++O[Si2O7](OH) |
| 3.510(25.35) | 100 | 2.151(41.97) | 50 | 1.835(49.64) | 30 | Tiemannite | HgSe |
| 3.510(25.35) | 100 | 3.282(27.15) | 82 | 3.238(27.52) | 71 | Stibioclaudetite | AsSbO3 |
| 3.510(25.35) | 100 | 4.210(21.08) | 100 | 4.850(18.28) | 50 | Bilinite | Fe++Fe+++2(SO4)4•22(H2O) |
| 3.510(25.35) | 100 | 2.344(38.37) | 80 | 2.780(32.17) | 70 | Twinnite | Pb(Sb,As)2S4 |
| 3.510(25.35) | 100 | 10.550(8.37) | 90 | 2.643(33.89) | 80 | Hydroastrophyllite | (H3O,K)2Ca(Fe+++,Mn)5-6Ti2Si8O26(OH)4F |
| 3.510(25.35) | 100 | 1.891(48.08) | 33 | 2.379(37.78) | 22 | Anatase | TiO2 |
| 3.510(25.35) | 100 | 2.140(42.19) | 90 | 2.920(30.59) | 90 | Lillianite | Pb3Bi2S6 |
| 3.511(25.35) | 100 | 2.870(31.14) | 60 | 3.103(28.75) | 45 | Davreuxite | MnAl6Si4O17(OH)2 |
| 3.512(25.34) | 100 | 14.100(6.26) | 100 | 4.710(18.83) | 70 | Borocookeite | Li(1+3x)Al(4-x)(BSi3)O10(OH,F)8 [x = 0-0.33] |
| 3.512(25.34) | 100 | 3.202(27.84) | 78 | 3.015(29.60) | 69 | Laffittite | AgHgAsS3 |
| 3.513(25.33) | 100 | 7.040(12.56) | 100 | 2.514(35.68) | 90 | Orthochamosite | (Fe++,Mg,Fe+++)5Al(Si3Al)O10(OH,O)8 |
| 3.515(25.32) | 100 | 4.460(19.89) | 43 | 2.605(34.40) | 36 | Grossite | CaAl4O7 |
| 3.516(25.31) | 100 | 3.171(28.12) | 80 | 3.669(24.24) | 60 | Hashemite | Ba(Cr,S)O4 |
| 3.516(25.31) | 100 | 2.224(40.53) | 70 | 5.150(17.20) | 55 | Azurite | Cu3(CO3)2(OH)2 |
| 3.519(25.29) | 100 | 2.644(33.88) | 100 | 1.811(50.34) | 100 | Chernovite-(Y) | YAsO4 |
| 3.520(25.28) | 100 | 3.380(26.35) | 100 | 2.070(43.69) | 60 | Lausenite | Fe+++2(SO4)3•6(H2O) |
| 3.520(25.28) | 100 | 4.330(20.49) | 100 | 4.840(18.31) | 40 | Dietrichite | (Zn,Fe++,Mn)Al2(SO4)4•22(H2O) |
| 3.520(25.28) | 100 | 2.547(35.21) | 81 | 3.945(22.52) | 72 | Sarcopside | (Fe++,Mn,Mg)3(PO4)2 |
| 3.520(25.28) | 100 | 2.795(31.99) | 90 | 4.190(21.19) | 50 | Guettardite | Pb(Sb,As)2S4 |
| 3.520(25.28) | 100 | 4.820(18.39) | 90 | 3.790(23.45) | 35 | Apjohnite | MnAl2(SO4)4•22(H2O) |
| 3.520(25.28) | 100 | 6.130(14.44) | 80 | 3.570(24.92) | 60 | Tugtupite | Na4AlBeSi4O12Cl |
| 3.520(25.28) | 100 | 7.050(12.55) | 100 | 2.520(35.60) | 90 | Chamosite | (Fe++,Mg,Fe+++)5Al(Si3Al)O10(OH,O)8 |
| 3.520(25.28) | 100 | 7.060(12.53) | 100 | 1.925(47.17) | 70 | Amesite | Mg2Al(SiAl)O5(OH)4 |
| 3.520(25.28) | 100 | 7.690(11.50) | 95 | 3.360(26.51) | 80 | Hoelite | (C6H4)2(CO)2 |
| 3.527(25.23) | 100 | 1.483(62.58) | 100 | 1.057(93.56) | 100 | Ustarasite | Pb(Bi,Sb)6S10 |
| 3.527(25.23) | 100 | 3.397(26.21) | 71 | 2.313(38.90) | 43 | Podlesnoite | BaCa2(CO3)2F2 |
| 3.528(25.22) | 100 | 2.816(31.75) | 100 | 2.540(35.31) | 100 | Junitoite | CaZn2Si2O7•(H2O) |
| 3.530(25.21) | 100 | 2.917(30.62) | 60 | 2.605(34.40) | 50 | Susannite | Pb4(SO4)(CO3)2(OH)2 |
| 3.530(25.21) | 100 | 2.917(30.62) | 60 | 2.605(34.40) | 50 | Leadhillite | Pb4(SO4)(CO3)2(OH)2 |
| 3.530(25.21) | 100 | 4.690(18.91) | 90 | 2.650(33.80) | 80 | Thorite | ThSiO4 |
| 3.530(25.21) | 100 | 11.100(7.96) | 80 | 5.550(15.96) | 50 | Kahlerite | Fe++(UO2)2(AsO4)2•10-12(H2O) |
| 3.531(25.20) | 100 | 10.420(8.48) | 90 | 2.209(40.82) | 80 | Chelkarite | CaMgB2O4Cl2•7(H2O) (?) |
| 3.535(25.17) | 100 | 3.450(25.80) | 70 | 2.053(44.07) | 50 | Strontianite | SrCO3 |
| 3.537(25.16) | 100 | 3.056(29.20) | 97 | 2.890(30.92) | 96 | Geocronite | Pb14(Sb,As)6S23 |
| 3.537(25.16) | 100 | 4.695(18.89) | 90 | 2.653(33.76) | 60 | Thorogummite | Th(SiO4)1-x(OH)4x |
| 3.537(25.16) | 100 | 3.781(23.51) | 65 | 9.510(9.29) | 50 | Ferrierite-Mg | (Mg,Na,K)2Mg(Si,Al)18O36•9(H2O) |
| 3.537(25.16) | 100 | 3.781(23.51) | 65 | 9.510(9.29) | 50 | Ferrierite-K | (K,Na)2Mg(Si,Al)18O36•9(H2O) |
| 3.537(25.16) | 100 | 3.781(23.51) | 65 | 9.510(9.29) | 50 | Ferrierite-Na | (Na,K)2Mg(Si,Al)18O36•9(H2O) |
| 3.539(25.14) | 100 | 2.913(30.67) | 100 | 3.767(23.60) | 90 | Neustadtelite | Bi2Fe+++(Fe+++,Co)(O,OH)2(OH)2(AsO4)2 |
| 3.539(25.14) | 100 | 2.606(34.38) | 80 | 2.080(43.47) | 50 | Santanaite | Pb++9Pb++++2CrO16 |
| 3.540(25.14) | 100 | 3.410(26.11) | 90 | 5.570(15.90) | 70 | Voltaite | K2Fe++5Fe+++3Al(SO4)12•18(H2O) |
| 3.540(25.14) | 100 | 2.600(34.47) | 90 | 1.892(48.05) | 80 | Montanite | Bi2Te++++++O6•2(H2O) |
| 3.540(25.14) | 75 | 2.653(33.76) | 70 | 3.060(29.16) | 55 | Ellenbergerite | Mg6TiAl6Si8O28(OH)10 |
| 3.540(25.14) | 100 | 3.410(26.11) | 90 | 2.720(32.90) | 50 | Kobellite | Pb22Cu4(Bi,Sb)30S69 |
| 3.540(25.14) | 100 | 3.660(24.30) | 100 | 4.000(22.21) | 90 | Nuffieldite | Pb2Cu(Pb,Bi)Bi2S7 |
| 3.540(25.14) | 100 | 6.480(13.65) | 80 | 4.240(20.93) | 70 | Nealite-(H2O) | Pb4Fe++(As+++O3)2Cl4•2(H2O) |
| 3.542(25.12) | 100 | 3.204(27.82) | 100 | 1.873(48.57) | 75 | Dachiardite-Ca | (Ca,Na2,K2)5Al10Si38O96•25(H2O) |
| 3.542(25.12) | 100 | 6.480(13.65) | 80 | 4.237(20.95) | 70 | Nealite | Pb4Fe++(As+++++O4)2Cl4 |
| 3.545(25.10) | 100 | 3.904(22.76) | 80 | 2.919(30.60) | 70 | Junoite | Pb3Cu2Bi8(S,Se)16 |
| 3.546(25.09) | 100 | 7.120(12.42) | 100 | 2.520(35.60) | 100 | Berthierine | (Fe++,Fe+++,Al,Mg)2-3(Si,Al)2O5(OH)4 |
| 3.549(25.07) | 100 | 2.620(34.20) | 95 | 4.187(21.20) | 75 | Chalcocyanite | CuSO4 |
| 3.550(25.06) | 100 | 2.800(31.94) | 100 | 9.100(9.71) | 60 | Synchysite-(Ce) | CaCe(CO3)2F |
| 3.550(25.06) | 100 | 2.510(35.74) | 65 | 2.048(44.19) | 20 | Paralstonite | BaCa(CO3)2 |
| 3.550(25.06) | 100 | 2.507(35.79) | 35 | 2.050(44.14) | 23 | Alstonite | BaCa(CO3)2 |
| 3.550(25.06) | 100 | 3.230(27.59) | 100 | 1.375(68.14) | 100 | Julienite | Na2Co++(SCN)4•8(H2O) |
| 3.554(25.03) | 100 | 5.481(16.16) | 85 | 3.391(26.26) | 63 | Ramanite-(Rb) | Rb[B5O6(OH)4]•2H2O |
| 3.557(25.01) | 100 | 3.462(25.71) | 70 | 3.422(26.02) | 55 | Matteuccite | NaHSO4•(H2O) |
| 3.558(25.01) | 100 | 3.101(28.77) | 82 | 3.974(22.35) | 72 | Svenekite | Ca(H2AsO4)2 |
| 3.559(25.00) | 100 | 7.130(12.40) | 47 | 3.078(28.99) | 45 | Natronambulite | (Na,Li)Mn++4[Si5O14(OH)] |
| 3.560(24.99) | 100 | 1.818(50.14) | 55 | 2.640(33.93) | 50 | Cahnite | Ca2B(AsO4)(OH)4 |
| 3.560(24.99) | 100 | 1.082(90.78) | 90 | 1.101(88.79) | 90 | Gladite | PbCuBi5S9 |
| 3.560(24.99) | 100 | 3.470(25.65) | 58 | 4.800(18.47) | 52 | Museumite | Pb2(Pb,Sb)2S8[Te,Au]2 |
| 3.560(24.99) | 100 | 5.990(14.78) | 28 | 4.350(20.40) | 23 | Mikasaite | Fe+++2(SO4)3 |
| 3.560(24.99) | 100 | 8.550(10.34) | 100 | 5.070(17.48) | 60 | Metakirchheimerite | Co(UO2)2(AsO4)2•8(H2O) |
| 3.560(24.99) | 100 | 8.810(10.03) | 80 | 5.820(15.21) | 50 | Cuprocopiapite | CuFe+++4(SO4)6(OH)2•20(H2O) |
| 3.560(24.99) | 100 | 9.700(9.11) | 80 | 2.480(36.19) | 80 | IMA2009-009 | KNa2Li(Mg,Fe)2Ti2Si8O24 |
| 3.560(24.99) | 100 | 1.101(88.79) | 90 | 1.082(90.78) | 90 | Gladite | PbCuBi5S9 |
| 3.560(24.99) | 100 | 3.040(29.36) | 80 | 3.200(27.86) | 70 | Uralolite | Ca2Be4(PO4)3(OH)3•5(H2O) |