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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.
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 6.920(12.78) | 200 | 6.160(14.37) | 100 | 9.440(9.36) | 100 | Poitevinite | (Cu,Fe++,Zn)SO4·(H2O) |
| 6.920(12.78) | 200 | 5.380(16.46) | 180 | 6.760(13.09) | 160 | Wenkite | Ba4Ca6(Si,Al)20O39(OH)2(SO4)3·n(H2O) (?) |
| 6.920(12.78) | 200 | 6.140(14.41) | 140 | 6.060(14.61) | 120 | Scapolite | (Na,Ca)4[(Al,Si)12O24]Cl |
| 6.928(12.77) | 200 | 6.346(13.94) | 118 | 3.462(25.71) | 38 | Qilianshanite | NaH4(CO3)(BO3)·2(H2O) |
| 6.928(12.77) | 200 | 6.138(14.42) | 140 | 7.648(11.56) | 120 | Meionite | Ca4Al6Si6O24CO3 |
| 6.936(12.75) | 200 | 3.916(22.69) | 160 | 5.526(16.03) | 50 | Armalcolite | (Mg,Fe++)Ti2O5 |
| 6.936(12.75) | 200 | 5.896(15.01) | 172 | 5.774(15.33) | 152 | Morinite | NaCa2Al2(PO4)2(F,OH)5·2(H2O) |
| 6.940(12.74) | 200 | 9.320(9.48) | 200 | 5.280(16.78) | 140 | Coffinite | U(SiO4)1-x(OH)4x |
| 6.940(12.74) | 200 | 13.840(6.38) | 156 | 3.966(22.40) | 126 | Paraspurrite | Ca5(SiO4)2(CO3) |
| 6.940(12.74) | 200 | 5.780(15.32) | 160 | 5.600(15.81) | 140 | Berryite | Cu3Ag2Pb3Bi7S16 |
| 6.940(12.74) | 200 | 5.208(17.01) | 160 | 14.800(5.97) | 120 | Vyuntspakhkite-(Y) | (Y,Yb,Er)4Al2AlSi5O18(OH)5 |
| 6.944(12.74) | 200 | 5.912(14.97) | 108 | 4.104(21.64) | 92 | Scainiite | Pb14Sb30S54O5 |
| 6.948(12.73) | 200 | 20.860(4.23) | 84 | 5.212(17.00) | 80 | Perraultite | (Na,Ca)2(Ba,K)2(Mn++,Fe++)8(Ti,Nb)4Si8O32(OH,F,O)6 |
| 6.954(12.72) | 200 | 10.380(8.51) | 180 | 5.600(15.81) | 100 | Horvathite-(Y) | NaY(CO3)F2 |
| 6.956(12.72) | 200 | 5.684(15.58) | 188 | 7.292(12.13) | 114 | Cupromakovickyite | Cu4AgPb2Bi9S18 |
| 6.960(12.71) | 200 | 5.436(16.29) | 170 | 5.982(14.80) | 170 | Kogarkoite | Na3(SO4)F |
| 6.960(12.71) | 200 | 9.120(9.69) | 140 | 7.380(11.98) | 120 | Carlhintzeite | Ca2AlF7·(H2O) |
| 6.960(12.71) | 200 | 5.300(16.71) | 80 | 11.600(7.61) | 60 | Monimolite | (Pb,Ca)2Sb2O7 |
| 6.960(12.71) | 200 | 5.912(14.97) | 94 | 6.916(12.79) | 80 | Pillaite | Pb9Sb10S23ClO0.5 |
| 6.960(12.71) | 200 | 4.444(19.96) | 160 | 7.440(11.89) | 140 | Vimsite | CaB2O2(OH)4 |
| 6.960(12.71) | 200 | 13.800(6.40) | 180 | 14.600(6.05) | 180 | Creedite | Ca3Al2(SO4)(F,OH)10·2(H2O) |
| 6.966(12.70) | 200 | 4.462(19.88) | 180 | 5.792(15.28) | 120 | Moschelite | Hg+2I2 |
| 6.966(12.70) | 200 | 5.496(16.11) | 160 | 9.804(9.01) | 90 | Pseudobrookite | (Fe+++,Fe++)2(Ti,Fe++)O5 |
| 6.972(12.69) | 200 | 3.661(24.29) | 100 | 20.898(4.22) | 100 | Straczekite | (Ca,K,Ba)(V5+,V4+)8O20·3H2O |
| 6.974(12.68) | 200 | 5.252(16.87) | 136 | 3.596(24.74) | 122 | IMA2008-035 | CeSiO4 |
| 6.976(12.68) | 200 | 5.296(16.73) | 70 | 4.218(21.04) | 44 | Rosiaite | PbSb+++++2O6 |
| 6.980(12.67) | 200 | 5.120(17.31) | 180 | 5.360(16.53) | 180 | Tungstite | WO3·(H2O) |
| 6.980(12.67) | 200 | 6.440(13.74) | 160 | 3.978(22.33) | 120 | Treasurite | Ag7Pb6Bi15S32 |
| 6.980(12.67) | 200 | 5.698(15.54) | 70 | 4.656(19.05) | 40 | Anhydrite | CaSO4 |
| 6.986(12.66) | 200 | 4.278(20.75) | 110 | 3.648(24.38) | 60 | Marshite | CuI |
| 6.996(12.64) | 200 | 19.560(4.51) | 92 | 19.200(4.60) | 76 | Nepskoeite | Mg4Cl(OH)7·6(H2O) |
| 6.996(12.64) | 200 | 14.416(6.13) | 140 | 5.014(17.67) | 100 | Luetheite | Cu2Al2(AsO4)2(OH)4·(H2O) |
| 6.998(12.64) | 200 | 5.404(16.39) | 200 | 9.288(9.51) | 110 | Pucherite | BiVO4 |
| 6.998(12.64) | 200 | 6.270(14.11) | 80 | 9.800(9.02) | 70 | Szmikite | MnSO4·(H2O) |
| 7.000(12.64) | 200 | 21.120(4.18) | 200 | 5.560(15.93) | 160 | Nalivkinite | Li2NaFe++7Ti2Si8O24(OH)4F |
| 7.000(12.64) | 200 | 4.060(21.87) | 180 | 4.980(17.80) | 180 | Olekminskite | Sr(Sr,Ca,Ba)(CO3)2 |
| 7.000(12.64) | 200 | 6.060(14.61) | 160 | 5.220(16.97) | 120 | Yoderite | Mg2(Al,Fe+++)6Si4O18(OH)2 |
| 7.000(12.64) | 200 | 5.600(15.81) | 140 | 5.320(16.65) | 100 | Zircophyllite | K2(Na,Ca)(Mn,Fe++)7(Zr,Nb)2Si8O26(OH)4F |
| 7.000(12.64) | 200 | 5.546(15.97) | 180 | 5.922(14.95) | 160 | Hydroromarchite | Sn3O2(OH)2 |
| 7.000(12.64) | 200 | 4.680(18.95) | 100 | 5.700(15.53) | 100 | Koenenite | Na4Mg4Cl12·Mg5Al4(OH)22 |
| 7.000(12.64) | 200 | 8.600(10.28) | 200 | 9.620(9.19) | 200 | Halotrichite | Fe++Al2(SO4)4·22(H2O) |
| 7.000(12.64) | 200 | 8.300(10.65) | 110 | 5.340(16.59) | 80 | Lindgrenite | Cu3(MoO4)2(OH)2 |
| 7.000(12.64) | 200 | 9.520(9.28) | 170 | 9.160(9.65) | 130 | Mendozite | NaAl(SO4)2·11(H2O) |
| 7.001(12.63) | 5.778(15.32) | 5.729(15.45) | Vanadoandrosite-(Ce) | (Mn++,Ca)(REE)V+++AlMn++(Si2O7)(SiO4)O(OH) | |||
| 7.004(12.63) | 200 | 4.066(21.84) | 80 | 11.640(7.59) | 70 | Millosevichite | (Al,Fe+++)2(SO4)3 |
| 7.006(12.62) | 200 | 5.032(17.61) | 38 | 9.266(9.54) | 30 | Serrabrancaite | MnPO4·(H2O) |
| 7.010(12.62) | 200 | 9.412(9.39) | 200 | 9.535(9.27) | 200 | Acuminite | SrAlF4(OH)·(H2O) |
| 7.010(12.62) | 200 | 13.216(6.68) | 156 | 10.540(8.38) | 120 | Uklonskovite | NaMg(SO4)F·2(H2O) |
| 7.012(12.61) | 200 | 21.040(4.20) | 180 | 5.556(15.94) | 160 | Niobophyllite | K2Na(Fe++,Mn)7(Nb,Ti)2Si8O26(OH)4(F,O) |
| 7.020(12.60) | 200 | 5.800(15.26) | 180 | 6.940(12.74) | 160 | Brookite | TiO2 |
| 7.020(12.60) | 200 | 3.782(23.50) | 66 | 4.758(18.63) | 44 | Anatase | TiO2 |
| 7.020(12.60) | 200 | 8.420(10.50) | 200 | 9.700(9.11) | 100 | Bilinite | Fe++Fe+++2(SO4)4·22(H2O) |
| 7.020(12.60) | 200 | 5.374(16.48) | 140 | 5.560(15.93) | 120 | Ericssonite | BaMn++2Fe+++O[Si2O7](OH) |
| 7.020(12.60) | 200 | 4.688(18.91) | 160 | 5.560(15.93) | 140 | Twinnite | Pb(Sb,As)2S4 |
| 7.020(12.60) | 200 | 21.100(4.18) | 180 | 5.286(16.76) | 160 | Hydroastrophyllite | (H3O,K)2Ca(Fe+++,Mn)5-6Ti2Si8O26(OH)4F |
| 7.020(12.60) | 200 | 4.280(20.74) | 180 | 5.840(15.16) | 180 | Lillianite | Pb3Bi2S6 |
| 7.020(12.60) | 200 | 4.302(20.63) | 100 | 3.670(24.23) | 60 | Tiemannite | HgSe |
| 7.020(12.60) | 200 | 6.564(13.48) | 164 | 6.476(13.66) | 142 | Stibioclaudetite | AsSbO3 |
| 7.022(12.60) | 200 | 5.740(15.42) | 120 | 6.206(14.26) | 90 | Davreuxite | MnAl6Si4O17(OH)2 |
| 7.024(12.59) | 200 | 6.404(13.82) | 156 | 6.030(14.68) | 138 | Laffittite | AgHgAsS3 |
| 7.024(12.59) | 200 | 28.200(3.13) | 200 | 9.420(9.38) | 140 | Borocookeite | Li(1+3x)Al(4-x)(BSi3)O10(OH,F)8 [x = 0-0.33] |
| 7.026(12.59) | 200 | 14.080(6.27) | 200 | 5.028(17.62) | 180 | Orthochamosite | (Fe++,Mg,Fe+++)5Al(Si3Al)O10(OH,O)8 |
| 7.030(12.58) | 200 | 8.920(9.91) | 86 | 5.210(17.00) | 72 | Grossite | CaAl4O7 |
| 7.032(12.58) | 200 | 4.448(19.94) | 140 | 10.300(8.58) | 110 | Azurite | Cu3(CO3)2(OH)2 |
| 7.032(12.58) | 200 | 6.342(13.95) | 160 | 7.338(12.05) | 120 | Hashemite | Ba(Cr,S)O4 |
| 7.040(12.56) | 200 | 9.640(9.17) | 180 | 7.580(11.66) | 70 | Apjohnite | MnAl2(SO4)4·22(H2O) |
| 7.040(12.56) | 200 | 15.380(5.74) | 190 | 6.720(13.16) | 160 | Hoelite | (C6H4)2(CO)2 |
| 7.040(12.56) | 200 | 12.260(7.20) | 160 | 7.140(12.39) | 120 | Tugtupite | Na4AlBeSi4O12Cl |
| 7.040(12.56) | 200 | 5.590(15.84) | 180 | 8.380(10.55) | 100 | Guettardite | Pb(Sb,As)2S4 |
| 7.040(12.56) | 200 | 5.094(17.39) | 162 | 7.890(11.21) | 144 | Sarcopside | (Fe++,Mn,Mg)3(PO4)2 |
| 7.040(12.56) | 200 | 14.100(6.26) | 200 | 5.040(17.58) | 180 | Chamosite | (Fe++,Mg,Fe+++)5Al(Si3Al)O10(OH,O)8 |
| 7.040(12.56) | 200 | 8.660(10.21) | 200 | 9.680(9.13) | 80 | Dietrichite | (Zn,Fe++,Mn)Al2(SO4)4·22(H2O) |
| 7.040(12.56) | 200 | 14.120(6.25) | 200 | 3.850(23.08) | 140 | Amesite | Mg2Al(SiAl)O5(OH)4 |
| 7.054(12.54) | 200 | 6.794(13.02) | 142 | 4.626(19.17) | 86 | Podlesnoite | BaCa2(CO3)2F2 |
| 7.060(12.53) | 200 | 9.380(9.42) | 180 | 5.300(16.71) | 160 | Thorite | ThSiO4 |
| 7.060(12.53) | 200 | 5.834(15.17) | 120 | 5.210(17.00) | 100 | Leadhillite | Pb4(SO4)(CO3)2(OH)2 |
| 7.060(12.53) | 200 | 5.834(15.17) | 120 | 5.210(17.00) | 100 | Susannite | Pb4(SO4)(CO3)2(OH)2 |
| 7.060(12.53) | 200 | 22.200(3.98) | 160 | 11.100(7.96) | 100 | Kahlerite | Fe++(UO2)2(AsO4)2·10-12(H2O) |
| 7.062(12.52) | 200 | 20.840(4.24) | 180 | 4.418(20.08) | 160 | Chelkarite | CaMgB2O4Cl2·7(H2O) (?) |
| 7.070(12.51) | 200 | 6.900(12.82) | 140 | 4.106(21.63) | 100 | Strontianite | SrCO3 |
| 7.074(12.50) | 200 | 9.390(9.41) | 180 | 5.306(16.69) | 120 | Thorogummite | Th(SiO4)1-x(OH)4x |
| 7.074(12.50) | 200 | 6.112(14.48) | 194 | 5.779(15.32) | 192 | Geocronite | Pb14(Sb,As)6S23 |
| 7.074(12.50) | 200 | 7.562(11.69) | 130 | 19.020(4.64) | 100 | Ferrierite-Mg | (Mg,Na,K)2Mg(Si,Al)18O36·9(H2O) |
| 7.074(12.50) | 200 | 7.562(11.69) | 130 | 19.020(4.64) | 100 | Ferrierite-Na | (Na,K)2Mg(Si,Al)18O36·9(H2O) |
| 7.074(12.50) | 200 | 7.562(11.69) | 130 | 19.020(4.64) | 100 | Ferrierite-K | (K,Na)2Mg(Si,Al)18O36·9(H2O) |
| 7.078(12.50) | 200 | 5.212(17.00) | 160 | 4.160(21.34) | 100 | Santanaite | Pb++9Pb++++2CrO16 |
| 7.080(12.49) | 200 | 6.820(12.97) | 180 | 5.440(16.28) | 100 | Kobellite | Pb22Cu4(Bi,Sb)30S69 |
| 7.080(12.49) | 150 | 5.306(16.69) | 140 | 6.120(14.46) | 110 | Ellenbergerite | Mg6TiAl6Si8O28(OH)10 |
| 7.080(12.49) | 200 | 5.200(17.04) | 180 | 3.784(23.49) | 160 | Montanite | Bi2Te++++++O6·2(H2O) |
| 7.080(12.49) | 200 | 6.820(12.97) | 180 | 11.140(7.93) | 140 | Voltaite | K2Fe++5Fe+++3Al(SO4)12·18(H2O) |
| 7.080(12.49) | 200 | 12.960(6.81) | 160 | 8.480(10.42) | 140 | Nealite-(H2O) | Pb4Fe++(As+++O3)2Cl4·2(H2O) |
| 7.080(12.49) | 200 | 7.320(12.08) | 200 | 8.000(11.05) | 180 | Nuffieldite | Pb2Cu(Pb,Bi)Bi2S7 |
| 7.084(12.48) | 200 | 12.960(6.81) | 160 | 8.474(10.43) | 140 | Nealite | Pb4Fe++(As+++++O4)2Cl4 |
| 7.090(12.47) | 200 | 7.808(11.32) | 160 | 5.838(15.16) | 140 | Junoite | Pb3Cu2Bi8(S,Se)16 |
| 7.098(12.46) | 200 | 5.240(16.91) | 190 | 8.374(10.56) | 150 | Chalcocyanite | CuSO4 |
| 7.100(12.46) | 200 | 5.014(17.67) | 70 | 4.100(21.66) | 46 | Alstonite | BaCa(CO3)2 |
| 7.100(12.46) | 200 | 5.020(17.65) | 130 | 4.096(21.68) | 40 | Paralstonite | BaCa(CO3)2 |
| 7.108(12.44) | 200 | 10.962(8.06) | 170 | 6.782(13.04) | 126 | Ramanite-(Rb) | Rb[B5O6(OH)4]·2H2O |
| 7.114(12.43) | 200 | 6.924(12.77) | 140 | 6.844(12.92) | 110 | Matteuccite | NaHSO4·(H2O) |
| 7.116(12.43) | 200 | 6.202(14.27) | 164 | 7.948(11.12) | 144 | Svenekite | Ca(H2AsO4)2 |