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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 |
| 8.654(10.21) | 200 | 8.158(10.84) | 160 | 6.546(13.52) | 150 | Tschermigite | (NH4)Al(SO4)2·12(H2O) |
| 8.658(10.21) | 200 | 5.856(15.12) | 180 | 7.612(11.62) | 180 | Kosnarite | KZr++++2(PO4)3 |
| 8.660(10.21) | 200 | 5.960(14.85) | 180 | 4.660(19.03) | 120 | Zircosulfate | Zr(SO4)2·4(H2O) |
| 8.660(10.21) | 200 | 3.754(23.68) | 180 | 4.500(19.71) | 140 | Simmonsite | Na2LiAlF6 |
| 8.660(10.21) | 200 | 12.220(7.23) | 200 | 5.440(16.28) | 160 | Epistolite | (Na,[ ])2{(Na,Ti)4[Nb2(O,H2O)4Si4O14](OH,F)2}·2H2O |
| 8.660(10.21) | 200 | 6.160(14.37) | 160 | 3.862(23.01) | 120 | Monohydrocalcite | CaCO3·(H2O) |
| 8.660(10.21) | 200 | 8.780(10.07) | 130 | 6.120(14.46) | 110 | Mascagnite | (NH4)2SO4 |
| 8.678(10.18) | 200 | 5.766(15.35) | 100 | 8.134(10.87) | 56 | Shcherbinaite | V2O5 |
| 8.700(10.16) | 200 | 3.674(24.20) | 120 | 4.260(20.83) | 120 | Prosopite | CaAL2(F,OH)8 |
| 8.700(10.16) | 200 | 16.600(5.32) | 180 | 17.400(5.07) | 160 | Diadochite | Fe+++2(PO4)(SO4)(OH)·6(H2O) |
| 8.700(10.16) | 200 | 5.780(15.32) | 180 | 7.960(11.11) | 180 | Nickelhexahydrite | (Ni,Mg,Fe++)(SO4)·6(H2O) |
| 8.704(10.15) | 200 | 6.418(13.79) | 160 | 7.002(12.63) | 140 | Emeleusite | Na4Li2Fe+++2Si12O30 |
| 8.712(10.14) | 200 | 14.240(6.20) | 140 | 6.578(13.45) | 130 | Lonecreekite | (NH4)(Fe+++,Al)(SO4)2·12(H2O) |
| 8.720(10.14) | 200 | 10.900(8.10) | 200 | 6.180(14.32) | 180 | Mansfieldite | AlAsO4·2(H2O) |
| 8.720(10.14) | 200 | 5.770(15.34) | 178 | 6.500(13.61) | 140 | Phosphogartrellite | PbCuFe+++(PO4)2(OH,H2O)2 |
| 8.760(10.09) | 200 | 8.040(11.00) | 110 | 10.900(8.10) | 60 | Moorhouseite | (Co,Ni,Mn)SO4·6(H2O) |
| 8.760(10.09) | 200 | 6.380(13.87) | 180 | 5.080(17.44) | 160 | Bertrandite | Be4Si2O7(OH)2 |
| 8.780(10.07) | 200 | 10.900(8.10) | 100 | 10.200(8.66) | 90 | Hexahydrite | MgSO4·6(H2O) |
| 8.780(10.07) | 200 | 17.520(5.04) | 200 | 3.992(22.25) | 140 | Bazhenovite | CaS5·CaS2O3·6Ca(OH)2·20(H2O) |
| 8.780(10.07) | 200 | 6.116(14.47) | 180 | 10.180(8.68) | 160 | Eveite | Mn2(AsO4)(OH) |
| 8.780(10.07) | 200 | 8.400(10.52) | 120 | 5.780(15.32) | 100 | Wattevilleite | Na2Ca(SO4)2·4(H2O) (?) |
| 8.780(10.07) | 200 | 2.472(36.31) | 180 | 4.316(20.56) | 160 | Heterogenite-2H | Co+++O(OH) |
| 8.800(10.04) | 200 | 17.580(5.02) | 160 | 5.500(16.10) | 100 | Akrochordite | Mn4Mg(AsO4)2(OH)4·4(H2O) |
| 8.800(10.04) | 200 | 7.220(12.25) | 170 | 3.676(24.19) | 42 | Duttonite | V++++O(OH)2 |
| 8.800(10.04) | 200 | 4.630(19.15) | 160 | 3.608(24.65) | 120 | Heterogenite-3R | Co+++O(OH) |
| 8.820(10.02) | 200 | 4.820(18.39) | 190 | 4.240(20.93) | 180 | Fluoborite | Mg3(BO3)(F,OH)3 |
| 8.830(10.01) | 200 | 7.642(11.57) | 160 | 5.404(16.39) | 120 | Boleite | KPb26Ag9Cu24Cl62(OH)48 |
| 8.840(1-) | 200 | 14.060(6.28) | 200 | 24.000(3.68) | 200 | Monteregianite-(Y) | (Na,K)6(Y,Ca)2Si16O38·10(H2O) |
| 8.840(1-) | 200 | 5.190(17.07) | 140 | 4.380(20.26) | 130 | Artroeite | PbAlF3(OH)2 |
| 8.840(1-) | 200 | 18.400(4.80) | 180 | 6.140(14.41) | 170 | Pyrophyllite | Al2Si4O10(OH)2 |
| 8.840(1-) | 200 | 8.060(10.97) | 180 | 5.930(14.93) | 160 | Bianchite | (Zn,Fe++)(SO4)·6(H2O) |
| 8.840(1-) | 200 | 2.962(30.15) | 180 | 20.200(4.37) | 180 | Endellite | Al2Si2O5(OH)4·2(H2O) |
| 8.840(1-) | 200 | 6.760(13.09) | 160 | 6.240(14.18) | 140 | Denningite | (Mn,Zn)Te2O5 |
| 8.840(1-) | 200 | 10.220(8.64) | 140 | 7.300(12.11) | 120 | Bonattite | CuSO4·3(H2O) |
| 8.856(9.98) | 200 | 6.198(14.28) | 156 | 3.944(22.52) | 88 | IMA2009-019 | NaLa2(CO3)2[(CO3)1-xF2x]F |
| 8.860(9.98) | 200 | 5.120(17.31) | 170 | 7.320(12.08) | 80 | Illite | (K,H3O)(Al,Mg,Fe)2(Si,Al)4O10[(OH)2,(H2O)] |
| 8.860(9.98) | 200 | 6.640(13.32) | 140 | 7.000(12.64) | 140 | Plancheite | Cu8Si8O22(OH)4·(H2O) |
| 8.860(9.98) | 200 | 5.860(15.11) | 140 | 5.940(14.90) | 140 | Ferrohexahydrite | Fe++SO4·6(H2O) |
| 8.864(9.97) | 200 | 4.732(18.74) | 140 | 7.000(12.64) | 140 | Shattuckite | Cu5(SiO3)4(OH)2 |
| 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 | 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 | 10.880(8.12) | 180 | 7.900(11.19) | 160 | Aplowite | (Co,Mn,Ni)SO4·4(H2O) |
| 8.920(9.91) | 200 | 4.706(18.84) | 100 | 4.924(18.00) | 100 | Ludjibaite | Cu5(PO4)2(OH)4 |
| 8.920(9.91) | 200 | 26.740(3.30) | 152 | 6.680(13.24) | 142 | Revdite | Na2Si2O5·5(H2O) |
| 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 | Chloritoid | (Fe++,Mg,Mn)2Al4Si2O10(OH)4 |
| 8.940(9.89) | 200 | 4.920(18.01) | 180 | 5.940(14.90) | 160 | Magnesiochloritoid | MgAl2SiO5(OH)2 |
| 8.940(9.89) | 200 | 10.920(8.09) | 180 | 7.940(11.13) | 140 | Rozenite | Fe++SO4·4(H2O) |
| 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) | 200 | 7.920(11.16) | 130 | 11.120(7.94) | 130 | Ilesite | (Mn,Zn,Fe++)SO4·4(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) |
| 8.980(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 | 8.494(10.41) | 138 | 7.904(11.19) | 116 | Aubertite | CuAl(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 | 6.400(13.83) | 160 | 11.300(7.82) | 160 | Scorodite | Fe+++AsO4·2(H2O) |
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