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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 |
| 22.400(3.94) | 200 | 5.360(16.53) | 140 | 11.300(7.82) | 120 | Diaoyudaoite | NaAl11O17 |
| 22.400(3.94) | 200 | 5.466(16.20) | 120 | 11.220(7.87) | 120 | Kittatinnyite | Ca2Mn+++2Mn++Si2O8(OH)4·9(H2O) |
| 22.500(3.92) | 200 | 5.588(15.85) | 120 | 6.068(14.59) | 120 | Clinotobermorite | Ca5Si6(O,OH)18·5(H2O) |
| 22.600(3.91) | 200 | 5.134(17.26) | 80 | 7.096(12.46) | 60 | Bostwickite | CaMn+++6Si3O16·7(H2O) |
| 22.600(3.91) | 200 | 11.260(7.85) | 160 | 7.530(11.74) | 120 | Mountkeithite | (Mg,Ni)11(Fe+++,Cr)3(SO4,CO3)3.5(OH)24·11(H2O) |
| 22.600(3.91) | 200 | 11.340(7.79) | 180 | 6.360(13.91) | 160 | Haapalaite | 2(Fe,Ni)S·1.6(Mg,Fe++)(OH)2 |
| 22.640(3.90) | 200 | 7.440(11.89) | 140 | 11.160(7.92) | 120 | Motukoreaite | Na2Mg38Al24(CO3)13(SO4)8(OH)108·56(H2O) |
| 22.680(3.89) | 200 | 8.740(10.11) | 158 | 8.020(11.02) | 114 | Gottardiite | Na3Mg3Ca5Al19Si117O272·93(H2O) |
| 22.740(3.88) | 200 | 5.798(15.27) | 100 | 6.090(14.53) | 80 | Defernite | Ca6(CO3)2-x(SiO4)x(OH)7(Cl,OH)1-2x (x=0,5) |
| 22.820(3.87) | 200 | 13.220(6.68) | 146 | 8.644(10.22) | 134 | Erionite-K | (K2,Ca,Na2)2[Al4Si14O36]·15(H2O) |
| 22.820(3.87) | 200 | 13.220(6.68) | 146 | 8.644(10.22) | 134 | Erionite-Na | (Na2,K2,Ca)2[Al4Si14O36]·15(H2O) |
| 22.820(3.87) | 200 | 13.220(6.68) | 146 | 8.644(10.22) | 134 | Erionite-Ca | (Ca,K2,Na2)2[Al4Si14O36]·15(H2O) |
| 22.980(3.84) | 200 | 6.540(13.53) | 180 | 12.460(7.09) | 180 | Phaunouxite | Ca3(AsO4)·11(H2O) |
| 23.000(3.84) | 200 | 5.220(16.97) | 120 | 5.780(15.32) | 120 | Erlianite | (Fe++,Mg)4(Fe+++,V+++)2[Si6O15](O,OH)8 |
| 23.000(3.84) | 200 | 11.220(7.87) | 180 | 5.688(15.57) | 120 | Wallkilldellite | Ca4Mn++6As+++++4O16(OH)8·18(H2O) |
| 23.000(3.84) | 200 | 5.760(15.37) | 130 | 8.700(10.16) | 120 | Offretite | (K2,Ca,Mg)2.5Al5Si13O36·15(H2O) |
| 23.000(3.84) | 200 | 5.988(14.78) | 62 | 5.132(17.26) | 50 | Smythite | (Fe,Ni)9S11 or (Fe,Ni)13S16 |
| 23.020(3.84) | 200 | 8.692(10.17) | 176 | 5.776(15.33) | 106 | Calciopetersite | CaCu6[(PO4)2(PO3OH)(OH)6]·3(H2O) |
| 23.040(3.83) | 200 | 5.800(15.26) | 84 | 13.980(6.32) | 46 | Sasaite | (Al,Fe+++)14(PO4)11(SO4)(OH)7·84(H2O) |
| 23.128(3.82) | 200 | 13.864(6.37) | 180 | 6.104(14.50) | 150 | Haineaultite | (Na,Ca)5Ca(Ti,Nb)5(Si,S)12O34(OH,F)8·5(H2O) |
| 23.160(3.81) | 200 | 5.980(14.80) | 200 | 3.304(26.96) | 160 | Ershovite | Na4K3(Fe++,Mn++,Ti)2Si8O20(OH)4·5(H2O) |
| 23.200(3.81) | 200 | 4.866(18.22) | 120 | 8.720(10.14) | 100 | Petersite-(Y) | (Y,Ce,Nd,Ca)Cu6(PO4)3(OH)6·3(H2O) |
| 23.200(3.81) | 200 | 5.720(15.48) | 160 | 11.400(7.75) | 120 | Murmanite | (Na,[ ])2{(Na,Ti)4[Ti2(O,H2O)4Si4O14](OH,F)2}·2H2O |
| 23.200(3.81) | 200 | 13.240(6.67) | 60 | 10.040(8.80) | 60 | Kribergite | Al5(PO4)3(SO4)(OH)4·4(H2O) |
| 23.200(3.81) | 200 | 13.820(6.39) | 180 | 6.080(14.56) | 160 | Chivruaiite | Ca4(Ti,Nb)5[(Si6O17)2[(OH,O)5]·13-14H2O |
| 23.200(3.81) | 200 | 11.340(7.79) | 160 | 6.550(13.51) | 140 | Wallkilldellite-(Fe) | (Ca,Cu)4Fe6[(As,Si)O4]4(OH)8·18(H2O) |
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