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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 |
| 15.320(5.76) | 200 | 26.200(3.37) | 180 | 7.660(11.54) | 120 | Bayleyite | Mg2(UO2)(CO3)3·18(H2O) |
| 15.340(5.76) | 200 | 6.214(14.24) | 154 | 5.748(15.40) | 106 | Larisaite | Na(H3O)(UO2)3(SeO3)2O2·4(H2O) |
| 15.340(5.76) | 200 | 3.680(24.16) | 120 | 5.200(17.04) | 100 | Manasseite | Mg6Al2(CO3)(OH)16·4(H2O) |
| 15.360(5.75) | 200 | 7.900(11.19) | 160 | 8.160(10.83) | 120 | Strelkinite | Na2(UO2)2V2O8·6(H2O) |
| 15.380(5.74) | 200 | 18.420(4.79) | 140 | 11.480(7.69) | 120 | Pringleite | Ca9B26O34(OH)24Cl4·13(H2O) |
| 15.380(5.74) | 200 | 7.760(11.39) | 140 | 5.160(17.17) | 40 | Hydrotalcite | Mg6Al2(CO3)(OH)16·4(H2O) |
| 15.460(5.71) | 200 | 6.236(14.19) | 180 | 6.740(13.12) | 180 | Hexahydroborite | Ca[B(OH)4]2·2(H2O) |
| 15.460(5.71) | 200 | 12.320(7.17) | 180 | 6.820(12.97) | 160 | Johannite | Cu(UO2)2(SO4)2(OH)2·8(H2O) |
| 15.460(5.71) | 200 | 7.674(11.52) | 160 | 6.108(14.49) | 120 | Bergenite | Ca2Ba4[(UO3)2O2(PO4)2]3 (H2O)16 |
| 15.472(5.71) | 200 | 15.648(5.64) | 200 | 5.508(16.08) | 120 | Barium-zinc-alumopharmacosiderite | (Ba,K)0.5(Zn,Cu)0.5(Al,Fe)4(AsO4)3·5(H2O) |
| 15.480(5.70) | 200 | 7.860(11.25) | 100 | 6.680(13.24) | 90 | Ardealite | Ca2(SO4)(HPO4)·4(H2O) |
| 15.480(5.70) | 200 | 5.158(17.18) | 38 | 6.074(14.57) | 26 | Aristarainite | Na2MgB12O20·8(H2O) |
| 15.520(5.69) | 200 | 4.664(19.01) | 120 | 7.760(11.39) | 120 | Desautelsite | Mg6Mn+++2(CO3)(OH)16·4(H2O) |
| 15.520(5.69) | 200 | 7.002(12.63) | 130 | 5.182(17.10) | 82 | Kamchatkite | KCu++3OCl(SO4)2 |
| 15.520(5.69) | 200 | 6.280(14.09) | 160 | 6.860(12.89) | 140 | Francoisite-(Ce) | (Ce,Nd,Ca)[(UO2)3O(OH)(PO4)2]·6(H2O) |
| 15.520(5.69) | 200 | 7.760(11.39) | 80 | 5.280(16.78) | 50 | Droninoite | Ni3Fe+++Cl(OH)8·2H2O |
| 15.520(5.69) | 200 | 16.820(5.25) | 140 | 7.800(11.33) | 120 | Calcurmolite | Ca(UO2)3(MoO4)3(OH)2·11(H2O) |
| 15.540(5.68) | 200 | 7.780(11.36) | 160 | 5.240(16.91) | 100 | Pyroaurite | Mg6Fe+++2(CO3)(OH)16·4(H2O) |
| 15.540(5.68) | 200 | 5.478(16.17) | 120 | 8.960(9.86) | 100 | Alumopharmacosiderite | KAl4(AsO4)3(OH)4·6·5(H2O) |
| 15.558(5.68) | 200 | 7.628(11.59) | 160 | 8.782(10.06) | 160 | Burnsite | KCdCu7O2(SeO3)2Cl9 |
| 15.560(5.68) | 200 | 6.220(14.23) | 160 | 8.620(10.25) | 140 | Rapidcreekite | Ca2(SO4)(CO3)·4(H2O) |
| 15.560(5.68) | 200 | 5.184(17.09) | 120 | 3.060(29.16) | 100 | Jamborite | (Ni++,Ni+++,Fe)(OH)2(OH,S,(H2O)) |
| 15.560(5.68) | 200 | 6.980(12.67) | 160 | 17.940(4.92) | 140 | Bulachite | Al2(AsO4)(OH)3·3(H2O) |
| 15.580(5.67) | 200 | 7.780(11.36) | 160 | 3.720(23.90) | 80 | Sjogrenite | Mg6Fe+++2(CO3)(OH)16·4(H2O) |
| 15.580(5.67) | 200 | 7.760(11.39) | 100 | 11.520(7.67) | 100 | Francoisite-(Nd) | (Nd,Y,Sm,Ce)(UO2)3(PO4)2O(OH)·6(H2O) |
| 15.600(5.66) | 200 | 5.460(16.22) | 160 | 6.320(14.00) | 140 | Barium-alumopharmacosiderite | BaAl4(AsO4)3(OH)5·5(H2O) |
| 15.600(5.66) | 200 | 7.740(11.42) | 160 | 6.300(14.05) | 140 | Triangulite | Al3(UO2)4(PO4)4(OH)5·5(H2O) |
| 15.600(5.66) | 200 | 6.740(13.12) | 140 | 7.740(11.42) | 120 | Mundite | Al(UO2)3(PO4)2(OH)3·5(H2O) |
| 15.600(5.66) | 200 | 5.820(15.21) | 160 | 8.760(10.09) | 120 | Ferrinatrite | Na3Fe+++(SO4)3·3(H2O) |
| 15.600(5.66) | 200 | 7.820(11.31) | 180 | 5.200(17.04) | 80 | Stichtite | Mg6Cr2(CO3)(OH)16·4(H2O) |
| 15.610(5.66) | 200 | 6.062(14.60) | 140 | 7.806(11.33) | 60 | Ansermetite | MnV2O6·4(H2O) |
| 15.620(5.65) | 200 | 4.980(17.80) | 180 | 7.140(12.39) | 120 | Apophyllite-(KF) | (K,Na)Ca4Si8O20(F,OH)·8(H2O) |
| 15.640(5.65) | 9.120(9.69) | 7.880(11.22) | Kokchetavite | KAlSi3O8 | |||
| 15.660(5.64) | 200 | 7.800(11.33) | 180 | 7.020(12.60) | 120 | Uranophane-beta | Ca[(UO2)SiO3(OH)]2·(H2O) |
| 15.660(5.64) | 200 | 6.140(14.41) | 140 | 6.520(13.57) | 140 | Geminite | Cu++2As+++++2O7·3(H2O) |
| 15.660(5.64) | 200 | 17.780(4.97) | 200 | 2.962(30.15) | 160 | Ankinovichite | (Ni,Zn)Al4(VO3)2(OH)12(H2O)2.5 |
| 15.700(5.62) | 200 | 6.402(13.82) | 160 | 4.942(17.93) | 80 | Ivanyukite-K | K2[Ti4(OH)2O2(SiO4)3]·9H2O |
| 15.702(5.62) | 200 | 6.595(13.41) | 180 | 5.369(16.50) | 160 | Munirite | NaVO3·(2-x)(H2O) |
| 15.720(5.62) | 200 | 5.120(17.31) | 160 | 3.820(23.27) | 140 | Cafetite | Ca(Fe,Al)2Ti4O12·4(H2O) |
| 15.720(5.62) | 200 | 7.860(11.25) | 120 | 5.780(15.32) | 100 | Hydrocalumite | Ca2Al(OH)6[Cl1-x(OH)x]·3(H2O) |
| 15.740(5.61) | 200 | 6.410(13.80) | 160 | 3.686(24.12) | 60 | Ivanyukite-Cu | Cu[Ti4(OH)2O2(SiO4)3]·7H2O |
| 15.740(5.61) | 200 | 5.344(16.57) | 120 | 5.450(16.25) | 100 | Simonkolleite | Zn5(OH)8Cl2·(H2O) |
| 15.760(5.60) | 200 | 30.880(2.86) | 200 | 5.428(16.32) | 80 | Brianyoungite | Zn3(CO3,SO4)(OH)4 |
| 15.760(5.60) | 200 | 6.400(13.83) | 160 | 4.956(17.88) | 80 | Ivanyukite-Na | Na2[Ti4O2(OH)2(SiO4)3]·6H2O |
| 15.760(5.60) | 200 | 6.350(13.93) | 160 | 5.214(16.99) | 140 | IMA2007-041T | Na2[Ti4O2(OH)2(SiO4)3]·6H2O |
| 15.760(5.60) | 200 | 7.880(11.22) | 180 | 5.980(14.80) | 160 | Uranophane | Ca(UO2)2SiO3(OH)2·5(H2O) |
| 15.780(5.60) | 200 | 7.880(11.22) | 100 | 6.300(14.05) | 58 | Yingjiangite | (K2,Ca)(UO2)7(PO4)4(OH)6·6(H2O) |
| 15.792(5.59) | 200 | 7.000(12.64) | 40 | 11.172(7.91) | 30 | Paceite | CaCu(CH3COO)4·6(H2O) |
| 15.800(5.59) | 200 | 6.320(14.00) | 180 | 7.660(11.54) | 140 | Koritnigite | ZnHAsO4·(H2O) |
| 15.800(5.59) | 200 | 6.760(13.09) | 160 | 23.800(3.71) | 160 | Kulkeite | Na0.35Mg8AlSi7O20(OH)10 |
| 15.800(5.59) | 200 | 5.280(16.78) | 64 | 12.400(7.12) | 60 | Para-alumohydrocalcite | CaAl2(CO3)2(OH)4·6(H2O) |
| 15.800(5.59) | 200 | 6.980(12.67) | 160 | 6.760(13.09) | 140 | Rabejacite | Ca(UO2)4(SO4)2(OH)6·6(H2O) |
| 15.800(5.59) | 200 | 7.860(11.25) | 140 | 10.020(8.82) | 80 | Zugshunstite-(Ce) | (Ce,Nd,La)Al(SO4)2(C2O4)·8(H2O) |
| 15.800(5.59) | 200 | 6.240(14.18) | 140 | 6.900(12.82) | 70 | Barnesite | Na2V6O16·3(H2O) |
| 15.820(5.58) | 200 | 6.300(14.05) | 120 | 7.920(11.16) | 120 | Phosphuranylite | KCa(H3O)3(UO2)7(PO4)4O4·8(H2O) |
| 15.820(5.58) | 200 | 7.200(12.28) | 160 | 6.180(14.32) | 120 | Dundasite | PbAl2(CO3)2(OH)4·(H2O) |
| 15.840(5.57) | 200 | 4.190(21.19) | 160 | 5.510(16.07) | 160 | Stoiberite | Cu5V+++++2O10 |
| 15.840(5.57) | 200 | 17.380(5.08) | 160 | 20.800(4.24) | 120 | Hohmannite | Fe+++2(SO4)2(OH)2·7(H2O) |
| 15.860(5.57) | 200 | 8.780(10.07) | 160 | 6.004(14.74) | 140 | Strontiodresserite | (Sr,Ca)Al2(CO3)2(OH)4·(H2O) |
| 15.860(5.57) | 200 | 5.980(14.80) | 200 | 5.400(16.40) | 200 | Clinoholmquistite | [ ](Li2Mg3Al2)Si8O22(OH)2 |
| 15.860(5.57) | 200 | 7.920(11.16) | 180 | 4.000(22.21) | 140 | Brugnatellite | Mg6Fe+++(CO3)(OH)13·4(H2O) |
| 15.874(5.56) | 200 | 7.266(12.17) | 140 | 9.372(9.43) | 100 | Petterdite | PbCr+++2(CO3)2(OH)4·H2O |
| 15.880(5.56) | 200 | 6.280(14.09) | 140 | 7.640(11.57) | 100 | Cobaltkoritnigite | (Co,Zn)(AsO3OH)·(H2O) |
| 15.900(5.55) | 200 | 6.220(14.23) | 180 | 5.760(15.37) | 160 | Renardite | Pb(UO2)4(PO4)2(OH)4·7(H2O) |
| 15.900(5.55) | 200 | 4.600(19.28) | 190 | 27.400(3.22) | 190 | Buttgenbachite | Cu19Cl4(NO3)2(OH)32·2(H2O) |
| 15.900(5.55) | 200 | 7.944(11.13) | 160 | 6.542(13.52) | 80 | Kamitugaite | PbAl(UO2)5(PO4)2(OH)9·9.5(H2O) |
| 15.920(5.55) | 200 | 4.516(19.64) | 128 | 5.642(15.69) | 118 | Kovdorskite | Mg5(PO4)2(CO3)(OH)2·4.5(H2O) |
| 15.928(5.54) | 200 | 13.708(6.44) | 100 | 12.264(7.20) | 50 | Cavansite | Ca(VO)Si4O10·4(H2O) |
| 15.940(5.54) | 200 | 5.384(16.45) | 68 | 7.940(11.13) | 64 | Fougerite | (Fe++,Mg)6Fe+++2(OH)18·4(H2O) |
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