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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 |
| 8.876(9.96) | 200 | 17.720(4.98) | 170 | 6.766(13.07) | 120 | Phosphophyllite | Zn2(Fe++,Mn)(PO4)2·4(H2O) |
| 8.878(9.95) | 200 | 6.206(14.26) | 174 | 8.704(10.15) | 104 | IMA2009-013 | NaCe2(CO3)2[(CO3)1-xF2x]F |
| 8.880(9.95) | 200 | 4.814(18.41) | 60 | 3.716(23.93) | 50 | Grimaldiite | Cr+++O(OH) |
| 8.880(9.95) | 200 | 10.520(8.40) | 180 | 5.940(14.90) | 160 | Vandenbrandeite | Cu(UO2)(OH)4 |
| 8.884(9.95) | 200 | 3.878(22.91) | 190 | 7.254(12.19) | 100 | Metaborite | HBO2 |
| 8.900(9.93) | 200 | 5.100(17.37) | 140 | 2.984(29.92) | 80 | Rectorite | (Na,Ca)Al4(Si,Al)8O20(OH)4·2(H2O) |
| 8.920(9.91) | 200 | 5.946(14.89) | 160 | 5.372(16.49) | 90 | Ottrelite | (Mn,Fe++,Mg)2Al4Si2O10(OH)4 |
| 8.920(9.91) | 200 | 10.880(8.12) | 180 | 7.900(11.19) | 160 | Aplowite | (Co,Mn,Ni)SO4·4(H2O) |
| 8.920(9.91) | 200 | 17.820(4.95) | 180 | 15.700(5.62) | 160 | Alvanite | (Zn,Ni)Al4(VO3)2(OH)12·2(H2O) |
| 8.920(9.91) | 200 | 26.740(3.30) | 152 | 6.680(13.24) | 142 | Revdite | Na2Si2O5·5(H2O) |
| 8.920(9.91) | 200 | 4.706(18.84) | 100 | 4.924(18.00) | 100 | Ludjibaite | Cu5(PO4)2(OH)4 |
| 8.940(9.89) | 200 | 10.920(8.09) | 180 | 7.940(11.13) | 140 | Rozenite | Fe++SO4·4(H2O) |
| 8.940(9.89) | 200 | 4.920(18.01) | 180 | 5.940(14.90) | 160 | Chloritoid | (Fe++,Mg,Mn)2Al4Si2O10(OH)4 |
| 8.940(9.89) | 200 | 10.920(8.09) | 200 | 13.700(6.45) | 160 | Boyleite | (Zn,Mg)SO4·4(H2O) |
| 8.940(9.89) | 200 | 4.920(18.01) | 180 | 5.940(14.90) | 160 | Magnesiochloritoid | MgAl2SiO5(OH)2 |
| 8.960(9.86) | 200 | 16.700(5.29) | 158 | 8.720(10.14) | 134 | Meta-aluminite | Al2(SO4)(OH)4·5(H2O) |
| 8.960(9.86) | 180 | 29.000(3.04) | 140 | 3.054(29.22) | 120 | Sobotkite | (K,Ca0.5)0.33(Mg,Al)3(Si3Al)O10(OH)2·1-5(H2O) |
| 8.960(9.86) | 200 | 7.920(11.16) | 130 | 11.120(7.94) | 130 | Ilesite | (Mn,Zn,Fe++)SO4·4(H2O) |
| 8.980(9.84) | 200 | 8.660(10.21) | 160 | 8.780(10.07) | 160 | Alunogen | Al2(SO4)3·17(H2O) |
| 8.980(9.84) | 200 | 4.772(18.58) | 140 | 4.886(18.14) | 120 | Pseudomalachite | Cu5(PO4)2(OH)4 |
| 8.994(9.83) | 200 | 7.820(11.31) | 96 | 15.640(5.65) | 80 | Sharpite | Ca(UO2)6(CO3)5(OH)4·6(H2O) |
| 9.000(9.82) | 200 | 7.940(11.13) | 160 | 11.220(7.87) | 140 | Magnesioaubertite | (Mg,Cu)Al(SO4)2Cl·14(H2O) |
| 9.000(9.82) | 200 | 14.600(6.05) | 200 | 27.800(3.18) | 200 | Yakhontovite | (Ca,K)0.5(Cu,Fe+++,Mg)2Si4O10(OH)2·3(H2O) |
| 9.000(9.82) | 200 | 8.494(10.41) | 138 | 7.904(11.19) | 116 | Aubertite | CuAl(SO4)2Cl·14(H2O) |
| 9.000(9.82) | 200 | 6.400(13.83) | 160 | 11.300(7.82) | 160 | Scorodite | Fe+++AsO4·2(H2O) |
| 9.040(9.78) | 200 | 18.080(4.88) | 120 | 5.540(15.98) | 70 | Synchysite-(Nd) | CaNd(CO3)2F |
| 9.056(9.76) | 200 | 4.960(17.87) | 180 | 5.456(16.23) | 180 | Carboirite-III | Fe++Al2GeO5(OH)2 |
| 9.056(9.76) | 200 | 4.960(17.87) | 180 | 5.456(16.23) | 180 | Carboirite-VIII | Fe++(Al,Ge)2 O[(Ge,Si)O4](OH)2 |
| 9.060(9.75) | 200 | 11.400(7.75) | 140 | 7.748(11.41) | 120 | Yanomamite | In(AsO4)·2(H2O) |
| 9.060(9.75) | 200 | 6.480(13.65) | 180 | 5.224(16.96) | 160 | Ferrisurite | (Pb,Cu)2-3(CO3)1.5-2(OH,F)0.5-1[(Fe,Al)2Si4O10(OH)2]·n(H2O) |
| 9.060(9.75) | 200 | 30.000(2.94) | 140 | 9.940(8.89) | 90 | Tosudite | Na0,5(Al,Mg)6(Si,Al)8O18(OH)12·5(H2O) |
| 9.060(9.75) | 200 | 11.180(7.90) | 100 | 14.380(6.14) | 100 | Goosecreekite | CaAl2Si6O16·5(H2O) |
| 9.080(9.73) | 200 | 7.920(11.16) | 90 | 8.034(11.00) | 90 | Konyaite | Na2Mg(SO4)2·5(H2O) |
| 9.080(9.73) | 200 | 3.036(29.39) | 160 | 19.200(4.60) | 160 | Ferripyrophyllite | Fe+++2Si4O10(OH)2 |
| 9.100(9.71) | 200 | 4.560(19.45) | 160 | 6.300(14.05) | 160 | Gearksutite | CaAl(OH,F)5·(H2O) |
| 9.140(9.67) | 200 | 6.720(13.16) | 180 | 12.560(7.03) | 180 | Soddyite | (UO2)2SiO4·2(H2O) |
| 9.140(9.67) | 200 | 9.020(9.80) | 180 | 7.440(11.89) | 120 | Arhbarite | Cu2Mg(AsO4)(OH)3 |
| 9.160(9.65) | 200 | 6.760(13.09) | 140 | 5.760(15.37) | 100 | Gortdrumite | (Cu,Fe)6Hg2S5 |
| 9.160(9.65) | 200 | 7.780(11.36) | 180 | 15.060(5.86) | 180 | Tengerite-(Y) | Y2(CO3)3·2-3(H2O) |
| 9.160(9.65) | 200 | 7.970(11.09) | 160 | 2.410(37.28) | 140 | Mopungite | NaSb(OH)6 |
| 9.180(9.63) | 200 | 7.444(11.88) | 180 | 5.056(17.53) | 160 | Lenoblite | V2O4·2(H2O) |
| 9.200(9.61) | 200 | 6.420(13.78) | 180 | 8.580(10.30) | 160 | Rutherfordine | UO2(CO3) |
| 9.200(9.61) | 200 | 6.600(13.40) | 154 | 6.400(13.83) | 152 | Sborgite | NaB5O6(OH)4·3(H2O) |
| 9.200(9.61) | 200 | 5.800(15.26) | 160 | 3.740(23.77) | 60 | Holfertite | U++++++1.75TiCa0.25 O7.5(H2O)3 |
| 9.220(9.58) | 200 | 16.000(5.52) | 180 | 4.816(18.41) | 160 | Pharmacosiderite | KFe+++4(AsO4)3(OH)4·6-7(H2O) |
| 9.226(9.58) | 200 | 6.780(13.05) | 120 | 9.160(9.65) | 100 | Gilmarite | Cu3(AsO4)(OH)3 |
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