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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.
|
Selected X-Ray λ |
Change X-Ray λ |
D1 Å |
D2 Å |
D3 Å |
Tolerance % |
Elements |
|---|
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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 2.017(44.90) | 100 | 3.110(28.68) | 100 | 2.786(32.10) | 80 | Bariosincosite | Ba(V++++O)2(PO4)2•4(H2O) |
| 2.020(44.83) | 100 | 1.800(50.67) | 100 | 2.700(33.15) | 100 | Wilkmanite | Ni3Se4 |
| 2.020(44.83) | 100 | 1.160(83.22) | 100 | 1.430(65.18) | 80 | Chromferide | Fe3Cr1-x (x=0,6) |
| 2.020(44.83) | 100 | 3.040(29.36) | 100 | 2.850(31.36) | 100 | Marianoite | Na2Ca4(Nb,Zr)2(Si2O7)2(O,F)4 |
| 2.020(44.83) | 100 | 2.350(38.27) | 100 | 2.090(43.25) | 100 | Calcioancylite-(Ce) | CaCe(CO3)2(OH)•(H2O) |
| 2.020(44.83) | 100 | 3.110(28.68) | 70 | 2.810(31.82) | 70 | Korzhinskite | CaB2O4•(H2O) |
| 2.020(44.83) | 100 | 2.090(43.25) | 100 | 2.350(38.27) | 100 | Calcioancylite-(Ce) | CaCe(CO3)2(OH)•(H2O) |
| 2.020(44.83) | 100 | 3.320(26.83) | 90 | 1.726(53.01) | 80 | Berzelianite | Cu2Se |
| 2.020(44.83) | 2.350(38.27) | 2.830(31.59) | Tertschite | Ca4B10O19•20(H2O) | |||
| 2.020(44.83) | 100 | 2.810(31.82) | 70 | 3.110(28.68) | 70 | Korzhinskite | CaB2O4•(H2O) |
| 2.020(44.83) | 100 | 2.850(31.36) | 100 | 3.040(29.36) | 100 | Marianoite | Na2Ca4(Nb,Zr)2(Si2O7)2(O,F)4 |
| 2.023(44.76) | 100 | 2.863(31.22) | 100 | 3.530(25.21) | 50 | Mummeite | Cu0.58Ag3.11Pb1.10Bi6.65S13 |
| 2.027(44.67) | 100 | 1.170(82.35) | 30 | 1.433(65.03) | 20 | Iron | Fe |
| 2.030(44.60) | 100 | 2.850(31.36) | 100 | 3.540(25.14) | 80 | Thorbastnasite | Th(Ca,Ce)(CO3)2F2•3(H2O) |
| 2.030(44.60) | 100 | 2.860(31.25) | 70 | 3.520(25.28) | 60 | Vulcanite | CuTe |
| 2.030(44.60) | 100 | 1.967(46.11) | 60 | 1.435(64.93) | 30 | Kamacite | alpha-(Fe,Ni) |
| 2.034(44.51) | 100 | 1.762(51.85) | 42 | 1.246(76.37) | 21 | Nickel | Ni |
| 2.038(44.41) | 100 | 1.861(48.90) | 50 | 1.218(78.46) | 24 | Brownleeite | MnSi |
| 2.039(44.39) | 100 | 1.177(81.75) | 30 | 0.912(115.26) | 20 | Chromium | Cr |
| 2.040(44.37) | 100 | 5.100(17.37) | 100 | 10.100(8.75) | 60 | Uranocircite | Ba(UO2)2(PO4)2•12(H2O) |
| 2.040(44.37) | 100 | 1.170(82.35) | 90 | 0.770( <90 ) | 80 | Ferchromide | Cr3Fe1-x(x=0,6) |
| 2.044(44.28) | 100 | 1.972(45.98) | 67 | 2.258(39.89) | 44 | Mavlyanovite | Mn5Si3 |
| 2.046(44.23) | 100 | 2.330(38.61) | 50 | 1.216(78.61) | 40 | IMA2008-055 | (Ni,Fe,Ir) |
| 2.046(44.23) | 100 | 1.216(78.61) | 50 | 1.347(69.76) | 40 | IMA2008-055 | (Ni,Fe,Ir) |
| 2.050(44.14) | 100 | 1.486(62.44) | 100 | 2.150(41.99) | 100 | Niggliite | PtSn |
| 2.050(44.14) | 100 | 1.066(92.54) | 100 | 9.630(9.18) | 100 | Freboldite | CoSe |
| 2.050(44.14) | 100 | 3.470(25.65) | 100 | 3.090(28.87) | 100 | Sulfoborite | Mg3B2(SO4)(OH)8(OH,F)2 |
| 2.050(44.14) | 100 | 1.347(69.76) | 80 | 2.190(41.19) | 70 | Jedwabite | Fe7(Ta,Nb)3 |
| 2.050(44.14) | 100 | 1.888(48.16) | 70 | 1.965(46.16) | 50 | Domeykite | Cu3As |
| 2.050(44.14) | 100 | 2.170(41.58) | 50 | 2.380(37.77) | 30 | Isovite | (Cr,Fe)23C6 |
| 2.050(44.14) | 100 | 3.090(28.87) | 100 | 3.470(25.65) | 100 | Sulfoborite | Mg3B2(SO4)(OH)8(OH,F)2 |
| 2.056(44.01) | 100 | 2.343(38.39) | 40 | 2.142(42.15) | 35 | Ruthenium | (Ru,Ir,Os) |
| 2.057(43.98) | 100 | 2.966(30.10) | 90 | 2.635(33.99) | 90 | Pyrrhotite | Fe(1-x)S (x=0-0.17) |
| 2.057(43.98) | 100 | 2.635(33.99) | 90 | 2.966(30.10) | 90 | Pyrrhotite | Fe(1-x)S (x=0-0.17) |
| 2.058(43.96) | 100 | 3.044(29.32) | 70 | 2.720(32.90) | 50 | Boracite | Mg3B7O13Cl |
| 2.060(43.92) | 100 | 1.261(75.30) | 25 | 1.075(91.54) | 16 | Diamond | C |
| 2.060(43.92) | 100 | 2.190(41.19) | 100 | 2.340(38.44) | 100 | Siderazot | Fe5N2 |
| 2.060(43.92) | 100 | 1.780(51.28) | 30 | 1.260(75.37) | 20 | Awaruite | Ni2Fe to Ni3Fe |
| 2.060(43.92) | 100 | 3.040(29.36) | 100 | 4.360(20.35) | 100 | Zemkorite | (Na,K)2Ca(CO3)2 |
| 2.060(43.92) | 100 | 2.640(33.93) | 75 | 1.720(53.21) | 75 | Heideite | (Fe,Cr)1+x(Ti,Fe)2S4 |
| 2.060(43.92) | 100 | 3.760(23.64) | 80 | 2.329(38.63) | 60 | Aerugite | ([ ],Ni)9(AsO4)2(AsO6) (?) |
| 2.060(43.92) | 100 | 3.040(29.36) | 100 | 2.520(35.60) | 100 | Zemkorite | (Na,K)2Ca(CO3)2 |
| 2.060(43.92) | 100 | 2.190(41.19) | 100 | 1.260(75.37) | 75 | Lonsdaleite | C |
| 2.060(43.92) | 100 | 3.380(26.35) | 80 | 1.763(51.81) | 70 | Bellidoite | Cu2Se |
| 2.060(43.92) | 100 | 1.720(53.21) | 75 | 2.640(33.93) | 75 | Heideite | (Fe,Cr)1+x(Ti,Fe)2S4 |
| 2.060(43.92) | 100 | 4.360(20.35) | 100 | 3.040(29.36) | 100 | Zemkorite | (Na,K)2Ca(CO3)2 |
| 2.061(43.89) | 100 | 2.337(38.49) | 91 | 2.189(41.21) | 61 | Bromellite | BeO |
| 2.061(43.89) | 100 | 2.696(33.20) | 70 | 2.124(42.53) | 50 | Ruthenarsenite | (Ru,Ni)As |
| 2.065(43.80) | 100 | 3.003(29.73) | 90 | 3.326(26.78) | 90 | Itoite | Pb3[GeO2(OH)2](SO4)2 |
| 2.065(43.80) | 100 | 3.326(26.78) | 90 | 3.003(29.73) | 90 | Itoite | Pb3[GeO2(OH)2](SO4)2 |
| 2.068(43.74) | 100 | 2.394(37.54) | 80 | 1.463(63.54) | 80 | Carlsbergite | CrN |
| 2.068(43.74) | 100 | 1.463(63.54) | 80 | 2.394(37.54) | 80 | Carlsbergite | CrN |
| 2.070(43.69) | 100 | 2.850(31.36) | 80 | 2.690(33.28) | 80 | Vurroite | Pb20Sn2(Bi,As)22S54Cl6 |
| 2.070(43.69) | 100 | 2.560(35.02) | 50 | 2.820(31.70) | 40 | Cuprostibite | Cu2(Sb,Tl) |
| 2.070(43.69) | 100 | 3.190(27.95) | 100 | 3.500(25.43) | 100 | Banalsite | BaNa2Al4Si4O16 |
| 2.070(43.69) | 100 | 3.500(25.43) | 100 | 3.190(27.95) | 100 | Banalsite | BaNa2Al4Si4O16 |
| 2.070(43.69) | 100 | 3.340(26.67) | 80 | 2.850(31.36) | 80 | Vurroite | Pb20Sn2(Bi,As)22S54Cl6 |
| 2.070(43.69) | 100 | 3.360(26.51) | 60 | 1.988(45.59) | 40 | Rickardite | Cu7Te5 |
| 2.070(43.69) | 100 | 1.988(45.59) | 60 | 2.550(35.16) | 40 | Rickardite | Cu7Te5 |
| 2.070(43.69) | 100 | 2.850(31.36) | 80 | 3.340(26.67) | 80 | Vurroite | Pb20Sn2(Bi,As)22S54Cl6 |
| 2.072(43.65) | 100 | 1.793(50.88) | 85 | 1.804(50.55) | 83 | Sugakiite | Cu(Fe,Ni)8S8 |
| 2.076(43.56) | 100 | 2.858(31.27) | 70 | 4.850(18.28) | 65 | Shomiokite-(Y) | Na3Y(CO3)3•3(H2O) |
| 2.078(43.52) | 100 | 2.259(39.87) | 100 | 2.702(33.13) | 90 | Kutinaite | Cu14Ag6As7 |
| 2.080(43.47) | 100 | 1.800(50.67) | 80 | 1.080(91.00) | 80 | Taenite | gamma-(Fe,Ni) |
| 2.080(43.47) | 100 | 1.080(91.00) | 80 | 1.800(50.67) | 80 | Taenite | gamma-(Fe,Ni) |
| 2.080(43.47) | 100 | 2.157(41.85) | 40 | 1.373(68.25) | 40 | Danbaite | CuZn2 |
| 2.080(43.47) | 100 | 1.373(68.25) | 40 | 2.157(41.85) | 40 | Danbaite | CuZn2 |
| 2.085(43.36) | 100 | 2.552(35.14) | 90 | 1.601(57.52) | 80 | Corundum | Al2O3 |
| 2.088(43.30) | 100 | 2.410(37.28) | 91 | 1.476(62.92) | 57 | Bunsenite | NiO |
| 2.088(43.30) | 100 | 1.808(50.43) | 46 | 1.278(74.13) | 20 | Copper | Cu |
| 2.089(43.27) | 100 | 1.201(79.79) | 80 | 1.044(95.09) | 60 | Zhanghengite | (Cu,Zn,Fe,Al,Cr) |
| 2.090(43.25) | 100 | 3.610(24.64) | 70 | 2.010(45.07) | 70 | Weissite | Cu1.9Te |
| 2.090(43.25) | 100 | 2.980(29.96) | 80 | 2.930(30.48) | 80 | Montbrayite | (Au,Sb)2Te3 |
| 2.090(43.25) | 100 | 2.020(44.83) | 100 | 2.350(38.27) | 100 | Calcioancylite-(Ce) | CaCe(CO3)2(OH)•(H2O) |
| 2.090(43.25) | 100 | 2.010(45.07) | 70 | 3.610(24.64) | 70 | Weissite | Cu1.9Te |
| 2.090(43.25) | 100 | 2.660(33.67) | 60 | 1.720(53.21) | 50 | Troilite | FeS |
| 2.090(43.25) | 100 | 2.930(30.48) | 80 | 2.980(29.96) | 80 | Montbrayite | (Au,Sb)2Te3 |
| 2.091(43.23) | 100 | 2.473(36.30) | 53 | 2.308(38.99) | 40 | Zinc | Zn |
| 2.096(43.12) | 100 | 6.110(14.48) | 80 | 1.665(55.11) | 80 | Edgarite | FeNb2S6 |
| 2.096(43.12) | 100 | 1.665(55.11) | 80 | 6.110(14.48) | 80 | Edgarite | FeNb2S6 |
| 2.096(43.12) | 100 | 6.110(14.48) | 80 | 2.606(34.38) | 80 | Edgarite | FeNb2S6 |
| 2.098(43.08) | 100 | 2.216(40.68) | 26 | 2.382(37.73) | 24 | Hexamolybdenum | (Mo,Ru,Fe,Ir,Os) |
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