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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 |
| 15.700(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 | 5.344(16.57) | 120 | 5.450(16.25) | 100 | Simonkolleite | Zn5(OH)8Cl2·(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 |
| 15.760(5.60) | 200 | 7.880(11.22) | 180 | 5.980(14.80) | 160 | Uranophane | Ca(UO2)2SiO3(OH)2·5(H2O) |
| 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 | 6.400(13.83) | 160 | 4.956(17.88) | 80 | Ivanyukite-Na | Na2[Ti4O2(OH)2(SiO4)3]·6H2O |
| 15.760(5.60) | 200 | 30.880(2.86) | 200 | 5.428(16.32) | 80 | Brianyoungite | Zn3(CO3,SO4)(OH)4 |
| 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 | 6.240(14.18) | 140 | 6.900(12.82) | 70 | Barnesite | Na2V6O16·3(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 | 6.980(12.67) | 160 | 6.760(13.09) | 140 | Rabejacite | Ca(UO2)4(SO4)2(OH)6·6(H2O) |
| 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 | 6.760(13.09) | 160 | 23.800(3.71) | 160 | Kulkeite | Na0.35Mg8AlSi7O20(OH)10 |
| 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 | 17.380(5.08) | 160 | 20.800(4.24) | 120 | Hohmannite | Fe+++2(SO4)2(OH)2·7(H2O) |
| 15.840(5.57) | 200 | 4.190(21.19) | 160 | 5.510(16.07) | 160 | Stoiberite | Cu5V+++++2O10 |
| 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 | 7.920(11.16) | 180 | 4.000(22.21) | 140 | Brugnatellite | Mg6Fe+++(CO3)(OH)13·4(H2O) |
| 15.860(5.57) | 200 | 5.980(14.80) | 200 | 5.400(16.40) | 200 | Clinoholmquistite | [ ](Li2Mg3Al2)Si8O22(OH)2 |
| 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 | 7.944(11.13) | 160 | 6.542(13.52) | 80 | Kamitugaite | PbAl(UO2)5(PO4)2(OH)9·9.5(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 | 6.220(14.23) | 180 | 5.760(15.37) | 160 | Renardite | Pb(UO2)4(PO4)2(OH)4·7(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) |
| 15.960(5.53) | 200 | 10.640(8.30) | 126 | 6.380(13.87) | 90 | Cattiite | Mg3(PO4)2·22(H2O) |
| 15.960(5.53) | 200 | 22.320(3.96) | 140 | 9.260(9.54) | 100 | Wermlandite | (Ca,Mg)Mg7(Al,Fe+++)2(SO4)2(OH)18·12(H2O) |
| 15.980(5.53) | 200 | 6.540(13.53) | 160 | 5.662(15.64) | 120 | Natropharmacosiderite | (Na,K)2Fe+++4(AsO4)3(OH)5·7(H2O) |
| 15.980(5.53) | 200 | 8.460(10.45) | 140 | 11.600(7.61) | 110 | Mellite | Al2[C6(COO)6]·16(H2O) |
| 16.020(5.51) | 200 | 7.124(12.41) | 98 | 5.614(15.77) | 96 | Lemoynite | (Na,K)2CaZr2Si10O26·5-6(H2O) |
| 16.020(5.51) | 200 | 8.120(10.89) | 100 | 6.960(12.71) | 80 | Searlesite | NaBSi2O5(OH)2 |
| 16.020(5.51) | 200 | 5.824(15.20) | 160 | 8.020(11.02) | 140 | Haynesite | (UO2)3(SeO3)2(OH)2·5(H2O) |
| 16.080(5.49) | 200 | 4.014(22.13) | 120 | 8.041(10.99) | 96 | Woodallite | Mg6Cr2(OH)16Cl2·4(H2O) |
| 16.080(5.49) | 200 | 4.878(18.17) | 190 | 7.686(11.50) | 150 | Korshunovskite | Mg2Cl(OH)3·3.5-4(H2O) |
| 16.100(5.48) | 200 | 6.180(14.32) | 160 | 6.200(14.27) | 160 | Phurcalite | Ca2(UO2)3O2(PO4)2·7(H2O) |
| 16.120(5.48) | 200 | 8.040(11.00) | 160 | 6.976(12.68) | 140 | Urancalcarite | Ca(UO2)3(CO3)(OH)6·3(H2O) |
| 16.125(5.48) | 200 | 6.400(13.83) | 88 | 4.789(18.51) | 82 | Effenbergerite | BaCuSi4O10 |
| 16.180(5.46) | 200 | 6.840(12.93) | 180 | 6.360(13.91) | 160 | Joliotite | (UO2)(CO3)·n(H2O), (n=2?) |
| 16.180(5.46) | 200 | 12.460(7.09) | 120 | 7.320(12.08) | 100 | Dresserite | BaAl2(CO3)2(OH)4·(H2O) |
| 16.200(5.45) | 200 | 8.080(10.94) | 80 | 7.120(12.42) | 40 | Brianroulstonite | Ca3[B5O6(OH)6](OH)Cl2·8(H2O) |
| 16.214(5.45) | 200 | 6.000(14.75) | 180 | 8.854(9.98) | 140 | Holmquistite | [ ](Li2Mg3Al2)Si8O22(OH)2 |
| 16.218(5.44) | 200 | 8.094(10.92) | 80 | 4.726(18.76) | 54 | Iowaite | Mg4Fe+++(OH)8OCl·2-4(H2O) |
| 16.220(5.44) | 200 | 6.000(14.75) | 96 | 8.840(1-) | 52 | Ferroholmquistite | [ ](Li2Fe++3Al2)Si8O22(OH)2 |
| 16.240(5.44) | 200 | 5.726(15.46) | 96 | 7.086(12.48) | 78 | Bussyite-(Ce) | (Ce,REE)3(Na,H2O)6MnSi9Be5(O,OH)30F4 |
| 16.270(5.43) | 200 | 11.950(7.39) | 80 | 7.128(12.41) | 80 | Natrolemoynite | Na4Zr2Si10O26·9(H2O) |
| 16.292(5.42) | 200 | 5.372(16.49) | 180 | 6.016(14.71) | 160 | IMA2008-070 | NaLi2(Fe2Al2Li)(Si6Al2)O22F2 |
| 16.300(5.42) | 200 | 6.000(14.75) | 160 | 8.080(10.94) | 140 | Lepersonnite-(Gd) | CaGd2(UO3)24(CO3)8(SiO4)4O4·60(H2O) |
| 16.300(5.42) | 200 | 5.556(15.94) | 180 | 8.140(10.86) | 160 | Zemannite | Mg0.5[Zn++Fe+++(TeO3)3]·4.5(H2O) |
| 16.320(5.41) | 200 | 9.640(9.17) | 180 | 12.120(7.29) | 140 | Cuprosklodowskite | Cu[(UO2)(SiO2OH)]2·6(H2O) |
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