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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 |
| 14.118(6.26) | 200 | 7.056(12.53) | 172 | 5.808(15.24) | 156 | Coutinhoite | ThxBa1-2x(H2O)y(UO2)2Si5O13·H2O |
| 14.120(6.25) | 200 | 6.240(14.18) | 180 | 7.020(12.60) | 160 | Zippeite | K4(UO2)6(SO4)3(OH)10·4(H2O) |
| 14.140(6.25) | 200 | 11.820(7.47) | 198 | 4.960(17.87) | 36 | Brindleyite | (Ni,Mg,Fe++)2Al(SiAl)O5(OH)4 |
| 14.160(6.24) | 200 | 7.040(12.56) | 140 | 6.240(14.18) | 100 | Masuyite | Pb[(UO2)3O3(OH)2]·3(H2O) |
| 14.160(6.24) | 200 | 7.080(12.49) | 100 | 6.880(12.86) | 80 | Zinc-zippeite | Zn++2(UO2)6(SO4)3(OH)10·16(H2O) |
| 14.180(6.23) | 200 | 6.480(13.65) | 180 | 6.220(14.23) | 160 | Paratsepinite-Na | (Na,Sr,K,Ca)7(Ti,Nb)8[Si4O12]4(O,OH)8·n(H2O) n ~ 8 |
| 14.180(6.23) | 200 | 6.480(13.65) | 180 | 6.300(14.05) | 160 | Tsepinite-Na | (Na,H3O,K,Sr,Ba)2(Ti,Nb)2[Si4O12](OH,O)2·3(H2O) |
| 14.180(6.23) | 200 | 5.032(17.61) | 150 | 5.388(16.44) | 60 | Ramsbeckite | (Cu,Zn)15(SO4)4(OH)22·6(H2O) |
| 14.198(6.22) | 200 | 14.296(6.18) | 194 | 13.136(6.72) | 130 | Nenadkevichite | (Na,Ca,K)(Nb,Ti)Si2O6(O,OH)·2(H2O) |
| 14.200(6.22) | 200 | 4.660(19.03) | 160 | 7.100(12.46) | 140 | Orthochrysotile | Mg3Si2O5(OH)4 |
| 14.200(6.22) | 200 | 7.100(12.46) | 90 | 28.400(3.11) | 50 | Nimite | (Ni,Mg,Fe++)5Al(Si3Al)O10(OH)8 |
| 14.200(6.22) | 200 | 4.860(18.24) | 160 | 7.140(12.39) | 160 | Pennantite | Mn5Al(Si3Al)O10(OH)8 |
| 14.200(6.22) | 200 | 5.954(14.87) | 140 | 7.100(12.46) | 100 | Mandarinoite | Fe+++2Se3O9·6(H2O) |
| 14.200(6.22) | 200 | 7.180(12.32) | 160 | 5.080(17.44) | 140 | Spangolite | Cu6Al(SO4)(OH)12Cl·3(H2O) |
| 14.200(6.22) | 200 | 13.998(6.31) | 176 | 9.970(8.86) | 156 | Gjerdingenite-Ca | K2Ca(Nb,Ti)4(Si4O12)2(O,OH)4·6H2O |
| 14.220(6.21) | 200 | 11.140(7.93) | 180 | 17.960(4.92) | 160 | Weeksite | K2(UO2)2Si6O15·4(H2O) |
| 14.220(6.21) | 200 | 19.440(4.54) | 180 | 4.636(19.13) | 100 | Redgillite | Cu6(OH)10(SO4)·H2O |
| 14.240(6.20) | 200 | 4.758(18.63) | 180 | 7.120(12.42) | 160 | Lizardite | Mg3Si2O5(OH)4 |
| 14.240(6.20) | 200 | 8.560(10.33) | 160 | 18.360(4.81) | 160 | Uranopilite | [(UO2)6(SO4)O2(OH)6(H2O)6]·8(H2O) |
| 14.240(6.20) | 200 | 7.092(12.47) | 200 | 5.040(17.58) | 200 | Berthierine | (Fe++,Fe+++,Al,Mg)2-3(Si,Al)2O5(OH)4 |
| 14.258(6.19) | 200 | 7.120(12.42) | 160 | 4.854(18.26) | 120 | Dozyite | (Mg7Al2)(Si4Al2)O15(OH)12 |
| 14.280(6.18) | 200 | 28.600(3.09) | 180 | 3.084(28.93) | 120 | Baileychlore | (Zn,Al,[ ])3[Fe++2Al][Si3AlO10](OH)8 |
| 14.280(6.18) | 200 | 10.720(8.24) | 60 | 6.540(13.53) | 40 | Ginorite | Ca2B14O23·8(H2O) |
| 14.298(6.18) | 200 | 7.472(11.83) | 140 | 5.540(15.98) | 136 | Klochite | ([ ]1Na1)KFe2Zn3[Si12O30] |
| 14.300(6.18) | 200 | 6.438(13.74) | 100 | 7.672(11.52) | 70 | Euclase | BeAlSiO4(OH) |
| 14.300(6.18) | 200 | 7.162(12.35) | 140 | 5.256(16.85) | 70 | Wroewolfeite | Cu4(SO4)(OH)6·2(H2O) |
| 14.300(6.18) | 200 | 7.160(12.35) | 170 | 3.104(28.74) | 130 | Odinite | (Fe+++,Mg,Al,Fe++,Ti,Mn)2.5(Si,Al)2O5(OH)4 |
| 14.320(6.17) | 200 | 5.366(16.51) | 180 | 7.166(12.34) | 160 | Pyrosmalite-(Mn) | (Mn,Fe++)8Si6O15(OH,Cl)10 |
| 14.320(6.17) | 200 | 6.180(14.32) | 160 | 9.140(9.67) | 140 | Gengenbachite | KFe3(H2PO4)2(HPO4)4·6H2O or KFe3H8(PO4)6·6H2O |
| 14.320(6.17) | 200 | 5.540(15.98) | 180 | 6.360(13.91) | 160 | Tuhualite | [ ](Na,K)Fe++Fe+++[Si6O15] |
| 14.320(6.17) | 200 | 9.540(9.26) | 140 | 7.160(12.35) | 120 | Clinochlore | (Mg,Fe++)5Al(Si3Al)O10(OH)8 |
| 14.340(6.16) | 200 | 2.980(29.96) | 180 | 7.160(12.35) | 160 | Kaolinite | Al2Si2O5(OH)4 |
| 14.340(6.16) | 200 | 17.400(5.07) | 194 | 11.070(7.98) | 192 | Trattnerite | (Fe,Mg)2(Mg,Fe)3(Si12O30) |
| 14.340(6.16) | 200 | 6.794(13.02) | 110 | 7.190(12.30) | 90 | Carlosturanite | (Mg,Fe++,Ti,Mn)21(Si,Al)12O28(OH)34 |
| 14.360(6.15) | 200 | 4.980(17.80) | 140 | 5.400(16.40) | 140 | Metahohmannite | Fe+++2[O(SO4)2]·4(H2O) |
| 14.372(6.14) | 200 | 5.054(17.53) | 160 | 5.400(16.40) | 160 | Schulenbergite | (Cu,Zn)7(SO4,CO3)2(OH)10·3(H2O) |
| 14.374(6.14) | 200 | 7.186(12.31) | 106 | 8.766(10.08) | 78 | Nacrite | Al2Si2O5(OH)4 |
| 14.380(6.14) | 200 | 5.740(15.42) | 160 | 11.480(7.69) | 160 | Eudialyte | Na4(Ca,Ce)2(Fe++,Mn,Y)ZrSi8O22(OH,Cl)2 (?) |
| 14.400(6.13) | 200 | 6.360(13.91) | 100 | 7.160(12.35) | 100 | Fourmarierite | Pb(UO2)4O3(OH)4·4(H2O) |
| 14.400(6.13) | 200 | 8.180(10.81) | 180 | 6.580(13.45) | 160 | Strontioborite | SrB8O11(OH)4 |
| 14.400(6.13) | 200 | 9.688(9.12) | 180 | 4.916(18.03) | 160 | Urusovite | Cu[AlAsO5] |
| 14.420(6.12) | 200 | 7.180(12.32) | 90 | 6.240(14.18) | 60 | Cobaltzippeite | Co++2(UO2)6(SO4)3(OH)10·16(H2O) |
| 14.422(6.12) | 200 | 5.936(14.91) | 100 | 4.940(17.94) | 80 | Martyite | Zn3V2O7(OH)2·2H2O |
| 14.440(6.12) | 200 | 9.800(9.02) | 170 | 8.420(10.50) | 160 | Kurnakovite | MgB3O3(OH)5·5(H2O) |
| 14.460(6.11) | 200 | 7.220(12.25) | 160 | 9.580(9.22) | 100 | Gonyerite | Mn++3[Mn++3Fe+++][(Si,Fe+++)4O10](OH,O)8 |
| 14.500(6.09) | 200 | 7.238(12.22) | 50 | 4.902(18.08) | 40 | Takanelite | (Mn++,Ca)Mn++++4O8·(H2O) |
| 14.500(6.09) | 200 | 4.200(21.14) | 160 | 10.800(8.18) | 120 | Strontioginorite | (Sr,Ca)2B14O23·8(H2O) |
| 14.520(6.08) | 200 | 9.592(9.21) | 160 | 16.960(5.21) | 140 | Schrockingerite | NaCa3(UO2)(CO3)3(SO4)F·10(H2O) |
| 14.520(6.08) | 200 | 5.120(17.31) | 160 | 5.740(15.42) | 160 | Volborthite | Cu++3V+++++2O7(OH)2·2(H2O) |
| 14.540(6.07) | 200 | 2.820(31.70) | 140 | 4.880(18.16) | 140 | Birnessite | (Na,Ca,K)x(Mn++++,Mn+++)2O4·1.5(H2O) |
| 14.540(6.07) | 200 | 8.340(10.60) | 140 | 16.340(5.40) | 60 | Thornasite | Na12Th3[Si8O19]4·18(H2O) |
| 14.560(6.07) | 200 | 10.160(8.70) | 140 | 6.880(12.86) | 50 | Schoepite | (UO2)8O2(OH)12·12(H2O) |
| 14.560(6.07) | 200 | 5.090(17.41) | 184 | 5.430(16.31) | 104 | Zn-Schulenbergite | (Zn,Cu)7(SO4,CO3)2(OH)10·3(H2O) |
| 14.560(6.07) | 200 | 4.476(19.82) | 160 | 7.680(11.51) | 160 | Nifontovite | Ca3B6O6(OH)12·2(H2O) |
| 14.580(6.06) | 200 | 16.780(5.26) | 200 | 7.100(12.46) | 160 | Guilleminite | Ba(UO2)3(SeO3)2O2·3(H2O) |
| 14.580(6.06) | 200 | 4.226(21.00) | 60 | 17.300(5.10) | 60 | Penobsquisite | Ca2Fe++[B9O13(OH)6]Cl·4(H2O) |
| 14.600(6.05) | 200 | 5.020(17.65) | 180 | 5.620(15.76) | 140 | Caryopilite | (Mn++,Mg,Zn,Fe++)3(Si,As)2O510(OH,Cl)4 |
| 14.600(6.05) | 200 | 5.020(17.65) | 180 | 5.620(15.76) | 140 | Bementite | Mn8Si6O15(OH)10 |
| 14.600(6.05) | 200 | 12.380(7.13) | 180 | 23.160(3.81) | 180 | Uranosilite | (U++++++O2)Si7O15 |
| 14.620(6.04) | 200 | 7.260(12.18) | 180 | 5.002(17.72) | 140 | Nepouite | Ni3Si2O5(OH)4 |
| 14.628(6.04) | 200 | 7.304(12.11) | 40 | 4.734(18.73) | 32 | Nakauriite | (Mn,Ni,Cu)8(SO4)4(CO3)(OH)6·48(H2O) |
| 14.640(6.03) | 200 | 7.300(12.11) | 140 | 9.140(9.67) | 100 | Chrysotile | Mg3Si2O5(OH)4 |
| 14.680(6.02) | 200 | 7.320(12.08) | 110 | 6.980(12.67) | 90 | Natrozippeite | Na4(UO2)6(SO4)3(OH)10·4(H2O) |
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