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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 |
| 3.528(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 | Leadhillite | Pb4(SO4)(CO3)2(OH)2 |
| 3.530(25.21) | 100 | 11.100(7.96) | 80 | 5.550(15.96) | 50 | Kahlerite | Fe++(UO2)2(AsO4)2•10-12(H2O) |
| 3.530(25.21) | 100 | 4.690(18.91) | 90 | 2.650(33.80) | 80 | Thorite | ThSiO4 |
| 3.530(25.21) | 100 | 2.917(30.62) | 60 | 2.605(34.40) | 50 | Susannite | Pb4(SO4)(CO3)2(OH)2 |
| 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 | 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-Na | (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-Mg | (Mg,Na,K)2Mg(Si,Al)18O36•9(H2O) |
| 3.537(25.16) | 100 | 3.056(29.20) | 97 | 2.890(30.92) | 96 | Geocronite | Pb14(Sb,As)6S23 |
| 3.539(25.14) | 100 | 2.606(34.38) | 80 | 2.080(43.47) | 50 | Santanaite | Pb++9Pb++++2CrO16 |
| 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 |
| 3.540(25.14) | 100 | 6.480(13.65) | 80 | 4.240(20.93) | 70 | Nealite-(H2O) | Pb4Fe++(As+++O3)2Cl4•2(H2O) |
| 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 | 3.410(26.11) | 90 | 5.570(15.90) | 70 | Voltaite | K2Fe++5Fe+++3Al(SO4)12•18(H2O) |
| 3.540(25.14) | 100 | 3.410(26.11) | 90 | 2.720(32.90) | 50 | Kobellite | Pb22Cu4(Bi,Sb)30S69 |
| 3.540(25.14) | 75 | 2.653(33.76) | 70 | 3.060(29.16) | 55 | Ellenbergerite | Mg6TiAl6Si8O28(OH)10 |
| 3.540(25.14) | 100 | 2.600(34.47) | 90 | 1.892(48.05) | 80 | Montanite | Bi2Te++++++O6•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 | 3.230(27.59) | 100 | 1.375(68.14) | 100 | Julienite | Na2Co++(SCN)4•8(H2O) |
| 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 |
| 3.554(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 | 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 | 1.101(88.79) | 90 | 1.308(72.16) | 90 | Gladite | PbCuBi5S9 |
| 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 | 8.550(10.34) | 100 | 5.070(17.48) | 60 | Metakirchheimerite | Co(UO2)2(AsO4)2•8(H2O) |
| 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 | 1.818(50.14) | 55 | 2.640(33.93) | 50 | Cahnite | Ca2B(AsO4)(OH)4 |
| 3.560(24.99) | 100 | 1.829(49.81) | 90 | 1.778(51.35) | 80 | Umangite | Cu3Se2 |
| 3.560(24.99) | 100 | 2.480(36.19) | 80 | 9.700(9.11) | 80 | IMA2009-009 | KNa2Li(Mg,Fe)2Ti2Si8O24 |
| 3.560(24.99) | 100 | 2.553(35.12) | 70 | 3.820(23.27) | 50 | Chenevixite | Cu2Fe+++2(AsO4)2(OH)4•(H2O) |
| 3.560(24.99) | 100 | 2.910(30.70) | 80 | 1.779(51.31) | 65 | Sulphohalite | Na6(SO4)2FCl |
| 3.560(24.99) | 100 | 1.082(90.78) | 90 | 1.101(88.79) | 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) |
| 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 | 1.824(49.96) | 75 | 2.660(33.67) | 50 | Wakefieldite-(Y) | YVO4 |
| 3.561(24.98) | 100 | 3.058(29.18) | 39 | 2.715(32.96) | 39 | Carlosruizite | K6(Na,K)4Na6Mg10(Se++++++O4)12(IO3)12•12(H2O) |
| 3.561(24.98) | 100 | 2.715(32.96) | 39 | 3.058(29.18) | 39 | Carlosruizite | K6(Na,K)4Na6Mg10(Se++++++O4)12(IO3)12•12(H2O) |
| 3.562(24.98) | 100 | 2.833(31.55) | 80 | 4.673(18.98) | 55 | Parisite-(Ce) | Ca(Ce,La)2(CO3)3F2 |
| 3.564(24.96) | 100 | 2.654(33.74) | 75 | 2.961(30.16) | 70 | Danburite | CaB2(SiO4)2 |
| 3.569(24.93) | 100 | 3.008(29.67) | 80 | 2.505(35.82) | 80 | Boromuscovite | KAl2(Si3B)O10(OH,F)2 |
| 3.569(24.93) | 100 | 2.505(35.82) | 80 | 3.008(29.67) | 80 | Boromuscovite | KAl2(Si3B)O10(OH,F)2 |
| 3.569(24.93) | 100 | 3.118(28.61) | 80 | 3.530(25.21) | 60 | Bismuthinite | Bi2S3 |
| 3.570(24.92) | 100 | 3.239(27.52) | 77 | 2.922(30.57) | 67 | Roedderite | (Na,K)2(Mg,Fe++)5Si12O30 |
| 3.570(24.92) | 100 | 5.030(17.62) | 80 | 8.890(9.94) | 80 | Heinrichite | Ba(UO2)2(AsO4)2•10-12(H2O) |
| 3.570(24.92) | 100 | 8.650(10.22) | 100 | 3.310(26.91) | 90 | Metauranospinite | Ca(UO2)2(AsO4)2•8(H2O) |
| 3.570(24.92) | 100 | 8.890(9.94) | 80 | 5.030(17.62) | 80 | Heinrichite | Ba(UO2)2(AsO4)2•10-12(H2O) |
| 3.570(24.92) | 100 | 8.650(10.22) | 100 | 3.310(26.91) | 90 | Metauranopilite | (UO2)6(SO4)(OH)10•5(H2O) |
| 3.573(24.90) | 100 | 2.135(42.30) | 90 | 2.808(31.84) | 80 | Chabourneite | (Tl,Pb)21(Sb,As)91S147 |
| 3.574(24.89) | 100 | 2.906(30.74) | 45 | 3.617(24.59) | 40 | Matlockite | PbFCl |
| 3.580(24.85) | 100 | 7.200(12.28) | 80 | 3.480(25.58) | 80 | Magnesiozippeite | Mg(H2O)3.5(UO2)2(SO4)O2 |
| 3.580(24.85) | 100 | 3.190(27.95) | 90 | 7.630(11.59) | 90 | Chapmanite | Sb+++Fe+++2(SiO4)2(OH) |
| 3.580(24.85) | 100 | 3.300(27.00) | 100 | 2.730(32.78) | 100 | Vaterite | CaCO3 |
| 3.580(24.85) | 100 | 3.080(28.97) | 100 | 4.200(21.14) | 100 | Dalyite | K2ZrSi6O15 |
| 3.580(24.85) | 100 | 2.749(32.54) | 100 | 4.800(18.47) | 90 | Edingtonite | BaAl2Si3O10•4(H2O) |
| 3.580(24.85) | 100 | 7.150(12.37) | 100 | 2.330(38.61) | 90 | Dickite | Al2Si2O5(OH)4 |
| 3.580(24.85) | 100 | 2.591(34.59) | 90 | 1.704(53.75) | 80 | Krivovichevite | Pb3[Al(OH)6](SO4)(OH) |
| 3.580(24.85) | 100 | 7.630(11.59) | 90 | 3.190(27.95) | 90 | Chapmanite | Sb+++Fe+++2(SiO4)2(OH) |
| 3.580(24.85) | 100 | 3.480(25.58) | 80 | 7.200(12.28) | 80 | Magnesiozippeite | Mg(H2O)3.5(UO2)2(SO4)O2 |
| 3.580(24.85) | 100 | 3.590(24.78) | 60 | 2.882(31.00) | 55 | Lorandite | TlAsS2 |
| 3.581(24.84) | 100 | 2.191(41.17) | 56 | 1.870(48.65) | 47 | Frankdicksonite | BaF2 |
| 3.581(24.84) | 100 | 3.890(22.84) | 73 | 2.778(32.20) | 56 | Cotunnite | PbCl2 |
| 3.583(24.83) | 100 | 2.891(30.91) | 100 | 7.250(12.20) | 100 | Schneiderhohnite | Fe++Fe+++3As+++5O13 |
| 3.584(24.82) | 100 | 3.161(28.21) | 100 | 3.644(24.41) | 100 | Friedrichite | Pb5Cu5Bi7S18 |
| 3.587(24.80) | 100 | 3.139(28.41) | 25 | 7.210(12.27) | 20 | Clinoclase | Cu3(AsO4)(OH)3 |
| 3.590(24.78) | 100 | 8.660(10.21) | 70 | 2.980(29.96) | 60 | Metalodevite | Zn(UO2)2(AsO4)2•10(H2O) |
| 3.590(24.78) | 100 | 2.700(33.15) | 90 | 3.490(25.50) | 90 | Pierrotite | Tl2Sb6As4S16 |
| 3.590(24.78) | 100 | 3.310(26.91) | 100 | 3.070(29.06) | 100 | Polylithionite | KLi2AlSi4O10(F,OH)2 |
| 3.590(24.78) | 100 | 10.300(8.58) | 100 | 5.200(17.04) | 70 | Zeunerite | Cu(UO2)2(AsO4)2•10-16(H2O) |
| 3.590(24.78) | 100 | 3.490(25.50) | 90 | 2.700(33.15) | 90 | Pierrotite | Tl2Sb6As4S16 |
| 3.590(24.78) | 100 | 1.540(60.02) | 100 | 4.360(20.35) | 100 | Neotocite | (Mn,Fe++)SiO3•(H2O) (?) |
| 3.590(24.78) | 100 | 8.550(10.34) | 90 | 4.290(20.69) | 60 | Metakahlerite | Fe++(UO2)2(AsO4)2•8(H2O) |
| 3.593(24.76) | 100 | 3.498(25.44) | 50 | 2.487(36.09) | 32 | Cerussite | PbCO3 |
| 3.593(24.76) | 100 | 3.316(26.86) | 90 | 3.024(29.51) | 80 | Althausite | Mg2(PO4)(OH,F,O) |
| 3.599(24.72) | 100 | 5.804(15.25) | 74 | 2.814(31.77) | 66 | Uzonite | As4S5 |
| 3.600(24.71) | 100 | 3.410(26.11) | 90 | 5.550(15.96) | 70 | Chenite | Pb4Cu(SO4)2(OH)6 |
| 3.600(24.71) | 100 | 3.490(25.50) | 100 | 3.280(27.16) | 100 | Iranite | Pb10Cu(CrO4)6(SiO4)2(F,OH)2 |
| 3.600(24.71) | 100 | 1.840(49.50) | 90 | 3.130(28.49) | 80 | Orlymanite | Ca4Mn++3Si8O20(OH)6•2(H2O) |
| 3.600(24.71) | 100 | 3.090(28.87) | 100 | 3.060(29.16) | 100 | Ziesite | Cu2V+++++2O7 |
| 3.600(24.71) | 100 | 3.180(28.04) | 80 | 5.190(17.07) | 70 | Tisinalite | Na3H3(Mn++,Ca,Fe)TiSi6(O,OH)18•2(H2O) |
| 3.600(24.71) | 100 | 8.340(10.60) | 90 | 4.230(20.98) | 40 | Metauranocircite | Ba(UO2)2(PO4)2•6-8(H2O) |
| 3.603(24.69) | 100 | 9.750(9.06) | 100 | 3.816(23.29) | 90 | Amstallite | CaAl(Si,Al)4O8(OH)4•((H2O),Cl) |
| 3.607(24.66) | 100 | 2.799(31.95) | 85 | 2.777(32.21) | 40 | Kamaishilite | Ca2Al2SiO6(OH)2 |
| 3.610(24.64) | 100 | 9.080(9.73) | 90 | 1.619(56.82) | 60 | Przhevalskite | Pb(UO2)2(PO4)2•4(H2O) |
| 3.610(24.64) | 100 | 7.250(12.20) | 100 | 3.170(28.13) | 80 | Metavandendriesscheite | PbU7O22•n(H2O)(n<12) |
| 3.610(24.64) | 100 | 7.250(12.20) | 100 | 3.170(28.13) | 75 | Vandendriesscheite | Pb(UO2)10O6(OH)11•11(H2O) |
| 3.619(24.58) | 100 | 2.635(33.99) | 80 | 3.437(25.90) | 60 | Fleischerite | Pb3Ge(SO4)2(OH)6•3(H2O) |
| 3.620(24.57) | 100 | 3.390(26.27) | 70 | 6.070(14.58) | 60 | Maleevite | BaB2Si2O8 |