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.
[ 1 ] [ 2 ] [ 3 ] [ 4 ] [ 5 ] [ 6 ] [ 7 ] [ 8 ] [ 9 ] [ 10 ] [ 11 ] [ 12 ] [ 13 ] [ 14 ] [ 15 ] [ 16 ] [ 17 ] [ 18 ] [ 19 ] [ 20 ] [ 21 ] [ 22 ] [ 23 ] [ 24 ] [ 25 ] [ 26 ] [ 27 ] [ 28 ] [ 29 ] [ 30 ] [ 31 ] [ 32 ] [ 33 ] [ 34 ] [ 35 ] [ 36 ] [ 37 ] [ 38 ] [ 39 ] [ 40 ] [ 41 ] [ 42 ] [ 43 ] [ 44 ] [ 45 ]
D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
3.860(23.02) | 200 | 5.840(15.16) | 120 | 16.240(5.44) | 120 | Bultfonteinite | Ca2SiO2(OH,F)4 |
3.862(23.01) | 200 | 6.306(14.03) | 188 | 3.294(27.05) | 70 | Fluorite | CaF2 |
3.864(23.00) | 200 | 5.832(15.18) | 120 | 3.367(26.45) | 90 | Jaipurite | CoS |
3.866(22.99) | 200 | 4.750(18.67) | 180 | 3.714(23.94) | 160 | Roxbyite | Cu1.78S |
3.874(22.94) | 200 | 6.420(13.78) | 200 | 4.020(22.09) | 180 | Huanghoite-(Ce) | BaCe(CO3)2F |
3.874(22.94) | 200 | 6.360(13.91) | 120 | 5.480(16.16) | 100 | Bornite | Cu5FeS4 |
3.880(22.90) | 200 | 8.172(10.82) | 102 | 4.872(18.19) | 78 | Stalderite | TlCu(Zn,Fe,Hg)2As2S6 |
3.880(22.90) | 200 | 3.440(25.88) | 120 | 5.840(15.16) | 80 | Geversite | Pt(Sb,Bi)2 |
3.882(22.89) | 200 | 5.494(16.12) | 190 | 7.766(11.38) | 120 | Cryolite | Na3AlF6 |
3.884(22.88) | 200 | 5.260(16.84) | 200 | 5.060(17.51) | 160 | Oenite | CoSbAs |
3.890(22.84) | 200 | 4.800(18.47) | 200 | 6.040(14.65) | 200 | Chvilevaite | Na(Cu,Fe,Zn)2S2 |
3.896(22.81) | 200 | 5.560(15.93) | 200 | 6.860(12.89) | 150 | Bastnasite-(Y) | Y(CO3)F |
3.904(22.76) | 200 | 6.360(13.91) | 200 | 3.342(26.65) | 100 | Mgriite | (Cu,Fe)3AsSe3 |
3.910(22.72) | 200 | 2.500(35.89) | 160 | 3.470(25.65) | 160 | Mayingite | IrBiTe |
3.911(22.72) | 200 | 5.684(15.58) | 162 | 3.223(27.65) | 46 | Vavrinite | Ni2SbTe2 |
3.912(22.71) | 200 | 6.208(14.26) | 136 | 5.518(16.05) | 106 | Pizgrischite | (Cu,Fe)Cu14PbBi17S35 |
3.912(22.71) | 200 | 5.484(16.15) | 200 | 5.376(16.48) | 160 | Chrisstanleyite | Ag2Pd3Se4 |
3.920(22.66) | 200 | 6.380(13.87) | 190 | 3.342(26.65) | 160 | Eskebornite | CuFeSe2 |
3.920(22.66) | 200 | 4.420(20.07) | 160 | 8.580(10.30) | 160 | Cryolithionite | Na3Li3Al2F12 |
3.920(22.66) | 200 | 5.540(15.98) | 130 | 6.400(13.83) | 114 | Anilite | Cu7S4 |
3.930(22.61) | 200 | 6.116(14.47) | 200 | 6.480(13.65) | 200 | Fergusonite-beta-(Ce) | (Ce,La,Nd)NbO4 |
3.936(22.57) | 200 | 2.780(32.17) | 164 | 4.780(18.55) | 100 | Magnesiostaurolite | [ ]4Mg4Al16(Al,[ ])2Si8O40[O6,(OH)2] |
3.946(22.51) | 200 | 5.580(15.87) | 80 | 6.420(13.78) | 80 | Digenite | Cu9S5 |
3.952(22.48) | 200 | 2.594(34.55) | 120 | 4.174(21.27) | 120 | Hexaferrum | (Fe,Os,Ru,Ir) |
3.964(22.41) | 200 | 5.834(15.17) | 180 | 5.692(15.56) | 120 | Larosite | (Cu,Ag)21(Pb,Bi)2S13 |
3.976(22.34) | 200 | 5.300(16.71) | 200 | 4.380(20.26) | 140 | Majakite | PdNiAs |
3.978(22.33) | 200 | 4.220(21.03) | 80 | 4.500(19.71) | 40 | Algodonite | Cu6As |
3.980(22.32) | 200 | 5.400(16.40) | 160 | 5.920(14.95) | 160 | Insizwaite | Pt(Bi,Sb)2 |
3.980(22.32) | 200 | 4.870(18.20) | 200 | 2.840(31.47) | 120 | Surinamite | (Mg,Fe++)3Al4BeSi3O16 |
4.000(22.21) | 200 | 3.840(23.14) | 160 | 3.880(22.90) | 160 | Xifengite | Fe5Si3 |
4.000(22.21) | 200 | 6.760(13.09) | 200 | 6.800(13.01) | 200 | Ardaite | Pb19Sb13S35Cl7 |
4.002(22.19) | 200 | 4.088(21.72) | 180 | 4.178(21.25) | 160 | Koutekite | Cu5As2 |
4.006(22.17) | 200 | 5.940(14.90) | 200 | 3.556(25.02) | 160 | Michenerite | (Pd,Pt)BiTe |
4.010(22.15) | 200 | 2.320(38.78) | 60 | 2.820(31.70) | 20 | Suessite | (Fe,Ni)3Si |
4.010(22.15) | 200 | 3.812(23.32) | 120 | 3.632(24.49) | 40 | Melliniite | (Ni,Fe)4P |
4.012(22.14) | 200 | 4.724(18.77) | 200 | 8.464(10.44) | 200 | Khaidarkanite | Na0.34Cu4Al3(OH)14F3·2(H2O) |
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 | 4.640(19.11) | 180 | 2.848(31.38) | 100 | Griceite | LiF |
4.020(22.09) | 200 | 5.582(15.86) | 100 | 5.016(17.67) | 80 | Sheldrickite | NaCa3(CO3)2F3·(H2O) |
4.020(22.09) | 200 | 5.960(14.85) | 150 | 6.660(13.28) | 140 | Aurostibite | AuSb2 |
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 | 5.700(15.53) | 200 | 6.080(14.56) | 200 | Marianoite | Na2Ca4(Nb,Zr)2(Si2O7)2(O,F)4 |
4.040(21.98) | 200 | 6.640(13.32) | 180 | 3.452(25.79) | 160 | Berzelianite | Cu2Se |
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 | 5.620(15.76) | 140 | 6.220(14.23) | 140 | Korzhinskite | CaB2O4·(H2O) |
4.040(21.98) | 4.700(18.87) | 5.660(15.64) | Tertschite | Ca4B10O19·20(H2O) | |||
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 | 5.700(15.53) | 200 | 7.080(12.49) | 160 | Thorbastnasite | Th(Ca,Ce)(CO3)2F2·3(H2O) |
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 |
4.068(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 | 6.180(14.32) | 200 | 6.940(12.74) | 200 | Sulfoborite | Mg3B2(SO4)(OH)8(OH,F)2 |
4.100(21.66) | 200 | 4.340(20.45) | 100 | 4.760(18.63) | 60 | Isovite | (Cr,Fe)23C6 |
4.100(21.66) | 200 | 3.776(23.54) | 140 | 3.930(22.61) | 100 | Domeykite | Cu3As |
4.100(21.66) | 200 | 2.694(33.23) | 160 | 4.380(20.26) | 140 | Jedwabite | Fe7(Ta,Nb)3 |
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 | 3.440(25.88) | 150 | 5.280(16.78) | 150 | Heideite | (Fe,Cr)1+x(Ti,Fe)2S4 |
4.120(21.55) | 200 | 6.760(13.09) | 160 | 3.526(25.24) | 140 | Bellidoite | Cu2Se |
4.120(21.55) | 200 | 7.520(11.76) | 160 | 4.658(19.04) | 120 | Aerugite | ([ ],Ni)9(AsO4)2(AsO6) (?) |
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 | 4.380(20.26) | 200 | 2.520(35.60) | 150 | Lonsdaleite | C |
4.120(21.55) | 200 | 3.560(24.99) | 60 | 2.520(35.60) | 40 | Awaruite | Ni2Fe to Ni3Fe |
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 | 6.680(13.24) | 160 | 5.700(15.53) | 160 | Vurroite | Pb20Sn2(Bi,As)22S54Cl6 |
4.140(21.45) | 200 | 5.120(17.31) | 100 | 5.640(15.70) | 80 | Cuprostibite | Cu2(Sb,Tl) |
4.140(21.45) | 200 | 6.720(13.16) | 120 | 3.976(22.34) | 80 | Rickardite | Cu7Te5 |
4.140(21.45) | 200 | 6.380(13.87) | 200 | 7.000(12.64) | 200 | Banalsite | BaNa2Al4Si4O16 |
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 | 3.616(24.60) | 92 | 2.556(35.08) | 40 | Copper | Cu |
4.176(21.26) | 200 | 4.820(18.39) | 182 | 2.952(30.25) | 114 | Bunsenite | NiO |
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 | 5.860(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 |
4.180(21.24) | 200 | 5.320(16.65) | 120 | 3.440(25.88) | 100 | Troilite | FeS |
4.182(21.23) | 200 | 4.946(17.92) | 106 | 4.616(19.21) | 80 | Zinc | Zn |
4.192(21.18) | 200 | 3.330(26.75) | 160 | 12.220(7.23) | 160 | Edgarite | FeNb2S6 |
4.196(21.16) | 200 | 4.432(20.02) | 52 | 4.764(18.61) | 48 | Hexamolybdenum | (Mo,Ru,Fe,Ir,Os) |
4.200(21.14) | 200 | 4.306(20.61) | 160 | 3.630(24.50) | 140 | Tongxinite | Cu2Zn |
4.210(21.08) | 200 | 4.452(19.93) | 68 | 4.776(18.56) | 64 | Rhenium | Re |
4.212(21.07) | 200 | 2.978(29.98) | 104 | 2.432(36.93) | 24 | Periclase | MgO |
4.230(20.98) | 200 | 4.710(18.83) | 160 | 2.702(33.13) | 100 | Stillwaterite | Pd8As3 |
4.232(20.97) | 80 | 4.650(19.07) | 80 | 8.746(10.11) | 80 | Tischendorfite | Pd8Hg3Se9 |
[ 1 ] [ 2 ] [ 3 ] [ 4 ] [ 5 ] [ 6 ] [ 7 ] [ 8 ] [ 9 ] [ 10 ] [ 11 ] [ 12 ] [ 13 ] [ 14 ] [ 15 ] [ 16 ] [ 17 ] [ 18 ] [ 19 ] [ 20 ] [ 21 ] [ 22 ] [ 23 ] [ 24 ] [ 25 ] [ 26 ] [ 27 ] [ 28 ] [ 29 ] [ 30 ] [ 31 ] [ 32 ] [ 33 ] [ 34 ] [ 35 ] [ 36 ] [ 37 ] [ 38 ] [ 39 ] [ 40 ] [ 41 ] [ 42 ] [ 43 ] [ 44 ] [ 45 ]