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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 |
| 17.740(4.98) | 200 | 5.996(14.76) | 160 | 12.580(7.02) | 120 | Botryogen | MgFe+++(SO4)2(OH)·7(H2O) |
| 17.800(4.96) | 200 | 6.462(13.69) | 160 | 16.820(5.25) | 120 | Allanpringite | Fe3(PO4)2(OH)3·5H2O |
| 17.800(4.96) | 200 | 8.940(9.89) | 180 | 5.100(17.37) | 120 | Zincowoodwardite-1T | [Zn1BxAlx(OH)2][(SO4)x/2·n(H2O)], x = 0.33, n . 0.96 |
| 17.812(4.96) | 200 | 14.848(5.95) | 160 | 21.130(4.18) | 160 | Obradovicite | H4(K,Na)Cu++Fe+++2(AsO4)(MoO4)5·12(H2O) |
| 17.820(4.95) | 200 | 14.600(6.05) | 100 | 22.980(3.84) | 80 | Betpakdalite | [Mg(H2O)6]Ca2(H2O)13[Mo++++++8As+++++2Fe+++3O36(OH)]·4(H2O) |
| 17.840(4.95) | 200 | 7.460(11.85) | 130 | 6.500(13.61) | 110 | Meta-ankoleite | K2(UO2)2(PO4)2·6(H2O) |
| 17.920(4.93) | 200 | 5.980(14.80) | 100 | 6.502(13.61) | 100 | Sabinaite | (Na,Ca)4Zr2Ti(CO3)4O4 |
| 17.944(4.92) | 200 | 8.952(9.87) | 140 | 4.724(18.77) | 80 | Kuzelite | Ca4Al2.4(OH)12.8(SO4)·6(H2O) |
| 17.954(4.92) | 200 | 15.582(5.67) | 174 | 9.392(9.41) | 96 | Aluminite | Al2(SO4)(OH)4·7(H2O) |
| 18.000(4.91) | 200 | 6.266(14.12) | 160 | 9.400(9.40) | 100 | Ranunculite | HAl(UO2)(PO4)(OH)3·4(H2O) |
| 18.020(4.90) | 200 | 10.480(8.43) | 160 | 6.480(13.65) | 120 | Zincobotryogen | (Zn,Mg,Mn)Fe+++(SO4)2(OH)·7(H2O) |
| 18.040(4.89) | 200 | 10.640(8.30) | 160 | 8.700(10.16) | 120 | Strunzite | Mn++Fe+++2(PO4)2(OH)2·6(H2O) |
| 18.060(4.89) | 200 | 6.020(14.70) | 140 | 5.280(16.78) | 110 | Deerite | (Fe++,Mn)6(Fe+++,Al)3Si6O20(OH)5 |
| 18.060(4.89) | 200 | 7.600(11.63) | 180 | 6.540(13.53) | 160 | Chernikovite | (H3O)2(UO2)2(PO4)2·6(H2O) |
| 18.060(4.89) | 200 | 8.980(9.84) | 180 | 7.226(12.24) | 80 | Kambaldaite | NaNi4(CO3)3(OH)3·3(H2O) |
| 18.060(4.89) | 200 | 7.520(11.76) | 120 | 14.400(6.13) | 80 | Klyuchevskite | K3Cu3(Fe+++,Al)O2(SO4)4 |
| 18.060(4.89) | 200 | 7.520(11.76) | 120 | 14.400(6.13) | 80 | Klyuchevskite-Duplicate | K3Cu3Fe+++O2(SO4)4 |
| 18.060(4.89) | 200 | 8.080(10.94) | 90 | 6.060(14.61) | 50 | Stellerite | CaAl2Si7O18·7(H2O) |
| 18.080(4.88) | 200 | 18.300(4.82) | 168 | 7.562(11.69) | 74 | Alumoklyuchevskite | K3Cu3AlO2(SO4)4 |
| 18.080(4.88) | 200 | 11.660(7.58) | 160 | 23.400(3.77) | 160 | Slavikite | NaMg2Fe+++5(SO4)7(OH)6·33(H2O) |
| 18.080(4.88) | 200 | 8.140(10.86) | 190 | 6.080(14.56) | 140 | Stilbite-Ca | NaCa4[Al8Si28O72]·n(H2O) (n=28-32) |
| 18.080(4.88) | 200 | 8.140(10.86) | 190 | 6.080(14.56) | 140 | Stilbite-Na | Na3Ca3[Al8Si28O72]·n(H2O) (n=28-32) |
| 18.100(4.88) | 200 | 3.840(23.14) | 160 | 8.880(9.95) | 160 | Seelite-2 | Mg(UO2)(AsO3)x(AsO4)1-x·7(H2O) (x=0.7) |
| 18.100(4.88) | 200 | 3.840(23.14) | 160 | 8.880(9.95) | 160 | Seelite-1 | Mg[(UO2)(AsO3)x(AsO4)1-x]2·7(H2O) |
| 18.120(4.87) | 200 | 7.160(12.35) | 160 | 11.160(7.92) | 160 | Ferricopiapite | Fe+++2/3Fe+++4(SO4)6(OH)2·20(H2O) |
| 18.120(4.87) | 200 | 8.000(11.05) | 140 | 6.960(12.71) | 90 | Mordenite | (Ca,Na2,K2)Al2Si10O24·7(H2O) |
| 18.140(4.87) | 200 | 21.400(4.13) | 200 | 6.060(14.61) | 60 | Wightmanite | Mg5(BO3)O(OH)5·2(H2O) |
| 18.144(4.87) | 200 | 16.476(5.36) | 180 | 6.190(14.30) | 140 | Hubeite | Ca2Mn++Fe+++Si4O12(OH)(H2O)2 |
| 18.160(4.86) | 200 | 7.574(11.67) | 160 | 6.300(14.05) | 140 | Mazzite-Na | Na8Al8Si28O72·30H2O |
| 18.160(4.86) | 200 | 36.400(2.43) | 160 | 4.036(22.01) | 80 | Metavoltine | K4Na4(Fe++,Zn)Fe+++6(SO4)12O2·20(H2O) |
| 18.190(4.85) | 200 | 5.830(15.18) | 184 | 7.944(11.13) | 152 | Alflarsenite | NaCa2Be3Si4O13(OH)·2H2O |
| 18.200(4.85) | 200 | 6.900(12.82) | 160 | 6.960(12.71) | 130 | Kingite | Al3(PO4)2(F,OH)2·8(H2O,OH) |
| 18.200(4.85) | 200 | 7.588(11.65) | 100 | 9.390(9.41) | 72 | Metazellerite | Ca(UO2)(CO3)2·3(H2O) |
| 18.200(4.85) | 200 | 6.638(13.33) | 180 | 13.280(6.65) | 130 | Nekoite | Ca3Si6O15·7(H2O) |
| 18.240(4.84) | 200 | 5.614(15.77) | 70 | 13.240(6.67) | 40 | Probertite | NaCaB5O7(OH)4·3(H2O) |
| 18.260(4.84) | 200 | 9.132(9.68) | 160 | 6.092(14.53) | 52 | Pseudojohannite | Cu6.5[(UO2)4O4(SO4)2]2(OH)5·25H2O |
| 18.280(4.83) | 200 | 18.680(4.73) | 200 | 9.520(9.28) | 54 | Chistyakovaite | Al(UO2)2(AsO4)2(F,OH)·6.5H2O |
| 18.280(4.83) | 200 | 8.840(1-) | 120 | 9.112(9.70) | 120 | Haiweeite | Ca[(UO2)2Si5O12(OH)2]·3(H2O) |
| 18.280(4.83) | 200 | 6.680(13.24) | 160 | 7.680(11.51) | 160 | Abernathyite | K(UO2)(AsO4)·4(H2O) |
| 18.300(4.82) | 200 | 5.620(15.76) | 100 | 9.200(9.61) | 80 | Jahnsite-(CaMnFe) | CaMn++Fe++2Fe+++2(PO4)4(OH)2·8(H2O) |
| 18.320(4.82) | 200 | 5.680(15.59) | 160 | 5.840(15.16) | 160 | Inesite | Ca2Mn7Si10O28(OH)2·5(H2O) |
| 18.320(4.82) | 200 | 5.814(15.23) | 120 | 5.608(15.79) | 100 | Willhendersonite | KCaAl3Si3O12·5(H2O) |
| 18.354(4.81) | 200 | 9.176(9.63) | 64 | 6.118(14.47) | 30 | Lemanskiite | NaCaCu5(AsO4)4Cl·5H2O |
| 18.360(4.81) | 200 | 15.820(5.58) | 160 | 6.500(13.61) | 130 | Howieite | Na(Fe++,Mn++)10(Fe,Al)2Si12O31(OH)13 |
| 18.366(4.81) | 200 | 2.148(42.03) | 42 | 6.512(13.59) | 32 | Menezesite | Ba2MgZr4(BaNb12O42)·12H2O |
| 18.400(4.80) | 200 | 11.160(7.92) | 160 | 36.200(2.44) | 160 | Aluminocopiapite | Al2/3Fe+++4(SO4)6O(OH)2·20(H2O) |
| 18.400(4.80) | 200 | 19.200(4.60) | 200 | 7.800(11.33) | 140 | Bukovskyite | Fe+++2(AsO4)(SO4)(OH)·7(H2O) |
| 18.400(4.80) | 200 | 10.120(8.73) | 120 | 10.820(8.16) | 100 | Sinkankasite | H2MnAl(PO4)2(OH)·6(H2O) |
| 18.436(4.79) | 200 | 5.638(15.70) | 140 | 5.186(17.08) | 50 | Jahnsite-(NaFeMg) | NaFe+++Mg2Fe+++2(PO4)4(OH)2·8H2O |
| 18.460(4.78) | 200 | 36.800(2.40) | 200 | 11.140(7.93) | 140 | Copiapite | Fe++Fe+++4(SO4)6(OH)2·20(H2O) |
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