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X-Ray Diffraction Table |
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X-Ray Diffraction Table |
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.
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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 4.020(22.09) | 200 | 4.640(19.11) | 180 | 2.848(31.38) | 100 | Griceite | LiF |
| 4.020(22.09) | 200 | 5.960(14.85) | 150 | 6.660(13.28) | 140 | Aurostibite | AuSb2 |
| 4.020(22.09) | 200 | 4.120(21.55) | 140 | 4.760(18.63) | 130 | Cohenite | (Fe,Ni,Co)3C |
| 4.020(22.09) | 200 | 5.582(15.86) | 100 | 5.016(17.67) | 80 | Sheldrickite | NaCa3(CO3)2F3·(H2O) |
| 4.034(22.02) | 200 | 6.220(14.23) | 200 | 5.572(15.89) | 160 | Bariosincosite | Ba(V++++O)2(PO4)2·4(H2O) |
| 4.040(21.98) | 200 | 5.620(15.76) | 140 | 6.220(14.23) | 140 | Korzhinskite | CaB2O4·(H2O) |
| 4.040(21.98) | 200 | 6.640(13.32) | 180 | 3.452(25.79) | 160 | Berzelianite | Cu2Se |
| 4.040(21.98) | 4.700(18.87) | 5.660(15.64) | Tertschite | Ca4B10O19·20(H2O) | |||
| 4.040(21.98) | 200 | 4.180(21.24) | 200 | 4.700(18.87) | 200 | Calcioancylite-(Ce) | CaCe(CO3)2(OH)·(H2O) |
| 4.040(21.98) | 200 | 5.700(15.53) | 200 | 6.080(14.56) | 200 | Marianoite | Na2Ca4(Nb,Zr)2(Si2O7)2(O,F)4 |
| 4.046(21.95) | 200 | 5.726(15.46) | 200 | 7.060(12.53) | 100 | Mummeite | Cu0.58Ag3.11Pb1.10Bi6.65S13 |
| 4.054(21.91) | 200 | 2.340(38.44) | 60 | 2.866(31.18) | 40 | Iron | Fe |
| 4.060(21.87) | 200 | 3.934(22.58) | 120 | 2.870(31.14) | 60 | Kamacite | alpha-(Fe,Ni) |
| 4.060(21.87) | 200 | 5.720(15.48) | 140 | 7.040(12.56) | 120 | Vulcanite | CuTe |
| 4.060(21.87) | 200 | 5.700(15.53) | 200 | 7.080(12.49) | 160 | Thorbastnasite | Th(Ca,Ce)(CO3)2F2·3(H2O) |
| 4.068(21.83) | 200 | 3.524(25.25) | 84 | 2.492(36.01) | 42 | Nickel | Ni |
| 4.076(21.79) | 200 | 3.722(23.89) | 100 | 2.436(36.87) | 48 | Brownleeite | MnSi |
| 4.078(21.78) | 200 | 2.354(38.20) | 60 | 1.824(49.96) | 40 | Chromium | Cr |
| 4.080(21.76) | 200 | 2.340(38.44) | 180 | 1.540(60.02) | 160 | Ferchromide | Cr3Fe1-x(x=0,6) |
| 4.080(21.76) | 200 | 10.200(8.66) | 200 | 20.200(4.37) | 120 | Uranocircite | Ba(UO2)2(PO4)2·12(H2O) |
| 4.088(21.72) | 200 | 3.944(22.52) | 134 | 4.516(19.64) | 88 | Mavlyanovite | Mn5Si3 |
| 4.092(21.70) | 200 | 4.660(19.03) | 100 | 2.432(36.93) | 80 | IMA2008-055 | (Ni,Fe,Ir) |
| 4.100(21.66) | 200 | 3.776(23.54) | 140 | 3.930(22.61) | 100 | Domeykite | Cu3As |
| 4.100(21.66) | 200 | 6.180(14.32) | 200 | 6.940(12.74) | 200 | Sulfoborite | Mg3B2(SO4)(OH)8(OH,F)2 |
| 4.100(21.66) | 200 | 2.694(33.23) | 160 | 4.380(20.26) | 140 | Jedwabite | Fe7(Ta,Nb)3 |
| 4.100(21.66) | 200 | 4.340(20.45) | 100 | 4.760(18.63) | 60 | Isovite | (Cr,Fe)23C6 |
| 4.112(21.59) | 200 | 4.686(18.92) | 80 | 4.284(20.72) | 70 | Ruthenium | (Ru,Ir,Os) |
| 4.114(21.58) | 200 | 5.270(16.81) | 180 | 5.932(14.92) | 180 | Pyrrhotite | Fe(1-x)S (x=0-0.17) |
| 4.116(21.57) | 200 | 6.088(14.54) | 140 | 5.440(16.28) | 100 | Boracite | Mg3B7O13Cl |
| 4.120(21.55) | 200 | 2.522(35.57) | 50 | 2.151(41.97) | 32 | Diamond | C |
| 4.120(21.55) | 200 | 8.720(10.14) | 200 | 6.080(14.56) | 200 | Zemkorite | (Na,K)2Ca(CO3)2 |
| 4.120(21.55) | 200 | 3.560(24.99) | 60 | 2.520(35.60) | 40 | Awaruite | Ni2Fe to Ni3Fe |
| 4.120(21.55) | 200 | 6.760(13.09) | 160 | 3.526(25.24) | 140 | Bellidoite | Cu2Se |
| 4.120(21.55) | 200 | 4.380(20.26) | 200 | 2.520(35.60) | 150 | Lonsdaleite | C |
| 4.120(21.55) | 200 | 3.440(25.88) | 150 | 5.280(16.78) | 150 | Heideite | (Fe,Cr)1+x(Ti,Fe)2S4 |
| 4.120(21.55) | 200 | 7.520(11.76) | 160 | 4.658(19.04) | 120 | Aerugite | ([ ],Ni)9(AsO4)2(AsO6) (?) |
| 4.122(21.54) | 200 | 5.392(16.43) | 140 | 4.248(20.89) | 100 | Ruthenarsenite | (Ru,Ni)As |
| 4.122(21.54) | 200 | 4.674(18.97) | 182 | 4.378(20.27) | 122 | Bromellite | BeO |
| 4.130(21.50) | 200 | 6.006(14.74) | 180 | 6.652(13.30) | 180 | Itoite | Pb3[GeO2(OH)2](SO4)2 |
| 4.136(21.47) | 200 | 2.926(30.53) | 160 | 4.788(18.52) | 160 | Carlsbergite | CrN |
| 4.140(21.45) | 200 | 6.380(13.87) | 200 | 7.000(12.64) | 200 | Banalsite | BaNa2Al4Si4O16 |
| 4.140(21.45) | 200 | 6.680(13.24) | 160 | 5.700(15.53) | 160 | Vurroite | Pb20Sn2(Bi,As)22S54Cl6 |
| 4.140(21.45) | 200 | 6.720(13.16) | 120 | 3.976(22.34) | 80 | Rickardite | Cu7Te5 |
| 4.140(21.45) | 200 | 5.120(17.31) | 100 | 5.640(15.70) | 80 | Cuprostibite | Cu2(Sb,Tl) |
| 4.144(21.42) | 200 | 3.586(24.81) | 170 | 3.608(24.65) | 166 | Sugakiite | Cu(Fe,Ni)8S8 |
| 4.152(21.38) | 200 | 5.716(15.49) | 140 | 9.700(9.11) | 130 | Shomiokite-(Y) | Na3Y(CO3)3·3(H2O) |
| 4.156(21.36) | 200 | 4.518(19.63) | 200 | 5.404(16.39) | 180 | Kutinaite | Cu14Ag6As7 |
| 4.160(21.34) | 200 | 2.160(41.78) | 160 | 3.600(24.71) | 160 | Taenite | gamma-(Fe,Ni) |
| 4.161(21.34) | 200 | 2.746(32.58) | 80 | 4.315(20.57) | 80 | Danbaite | CuZn2 |
| 4.170(21.29) | 200 | 5.104(17.36) | 180 | 3.202(27.84) | 160 | Corundum | Al2O3 |
| 4.176(21.26) | 200 | 4.820(18.39) | 182 | 2.952(30.25) | 114 | Bunsenite | NiO |
| 4.176(21.26) | 200 | 3.616(24.60) | 92 | 2.556(35.08) | 40 | Copper | Cu |
| 4.178(21.25) | 200 | 2.402(37.41) | 160 | 2.088(43.30) | 120 | Zhanghengite | (Cu,Zn,Fe,Al,Cr) |
| 4.180(21.24) | 200 | 5.320(16.65) | 120 | 3.440(25.88) | 100 | Troilite | FeS |
| 4.180(21.24) | 200 | 5.860(15.11) | 160 | 5.960(14.85) | 160 | Montbrayite | (Au,Sb)2Te3 |
| 4.180(21.24) | 200 | 4.020(22.09) | 140 | 7.220(12.25) | 140 | Weissite | Cu1.9Te |
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