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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 |
| 16.760(5.27) | 200 | 6.240(14.18) | 200 | 5.420(16.34) | 180 | Actinolite | Ca2(Mg,Fe++)5Si8O22(OH)2 |
| 16.760(5.27) | 200 | 5.120(17.31) | 180 | 4.680(18.95) | 160 | Magnesiosadanagaite | NaCa2[Mg3(Al,Fe+++)2]Si5AlO22(OH)2 |
| 16.780(5.26) | 200 | 11.920(7.41) | 160 | 8.360(10.57) | 140 | Vanmeersscheite | U++++++(UO2)3(PO4)2(OH)6·4(H2O) |
| 16.800(5.26) | 200 | 6.860(12.89) | 160 | 8.360(10.57) | 160 | Upalite | Al(UO2)3(PO4)2O(OH)·7(H2O) |
| 16.800(5.26) | 200 | 5.440(16.28) | 100 | 5.120(17.31) | 60 | Ferrotschermakite | [ ]Ca2(Fe++3AlFe+++)Si6Al2O22(OH) |
| 16.800(5.26) | 200 | 5.382(16.46) | 180 | 5.804(15.25) | 180 | Tumchaite | Na2(Zr,Sn)Si4O11·2(H2O) |
| 16.800(5.26) | 200 | 9.320(9.48) | 180 | 22.400(3.94) | 180 | Lazarenkoite | CaFe++As+++3O7·3(H2O) |
| 16.828(5.25) | 200 | 5.410(16.37) | 140 | 6.780(13.05) | 120 | Obertiite | NaNa2(Mg3Fe+++Ti)Si8O22(O,F,OH)2 |
| 16.840(5.24) | 200 | 5.428(16.32) | 150 | 5.130(17.27) | 120 | IMA2007-015 | K(CaNa)(Fe++3Al2)(Si6Al2)O22(OH)2 |
| 16.840(5.24) | 200 | 17.340(5.09) | 200 | 6.440(13.74) | 120 | Wavellite | Al3(PO4)2(OH,F)3·5(H2O) |
| 16.840(5.24) | 200 | 8.380(10.55) | 160 | 6.540(13.53) | 140 | Sklodowskite | (H3O)2Mg(UO2)2(SiO4)2·4(H2O) |
| 16.840(5.24) | 200 | 6.232(14.20) | 120 | 5.422(16.33) | 40 | Ferriwinchite | ([ ],Na)(Na,Ca)2(Mg, Fe++)4Fe+++[Si8O22](OH)2 |
| 16.840(5.24) | 200 | 7.260(12.18) | 180 | 6.540(13.53) | 160 | Natrouranospinite | (Na2,Ca)(UO2)2(AsO4)2·5(H2O) |
| 16.840(5.24) | 200 | 8.420(10.50) | 128 | 8.640(10.23) | 42 | Guanacoite | (Cu,Mg)2Mg2(Mg,Cu)(OH)4(H2O)4(AsO4)2 |
| 16.860(5.24) | 200 | 6.260(14.14) | 140 | 5.420(16.34) | 120 | Hastingsite | NaCa2(Fe++4Fe+++)Si6Al2O22(OH)2 |
| 16.864(5.24) | 200 | 6.324(13.99) | 132 | 4.770(18.59) | 54 | Brumadoite | Cu3(TeO4)(OH)4·5H2O |
| 16.880(5.23) | 200 | 5.632(15.72) | 94 | 5.088(17.42) | 90 | Euchlorine | KNaCu++3(SO4)3O |
| 16.880(5.23) | 200 | 6.260(14.14) | 160 | 4.690(18.91) | 82 | Fluoropargasite | NaCa2(Mg3Fe++Al)5(Si6Al2O22)F2 |
| 16.900(5.22) | 200 | 6.240(14.18) | 180 | 5.780(15.32) | 120 | Magnesioriebeckite | [ ]Na2[(Mg,Fe++)3Fe+++2]Si8O22(OH)2 |
| 16.920(5.22) | 200 | 6.940(12.74) | 40 | 8.440(10.47) | 36 | Wyartite | Ca3U++++(UO2)6(CO3)2(OH)18·3-5(H2O) |
| 16.940(5.21) | 200 | 7.580(11.66) | 60 | 5.980(14.80) | 40 | Koninckite | Fe+++PO4·3(H2O) (?) |
| 16.940(5.21) | 200 | 6.510(13.59) | 146 | 9.492(9.31) | 130 | Lanthanite-(Ce) | (Ce,La)2(CO3)3·8(H2O) |
| 16.940(5.21) | 200 | 7.220(12.25) | 170 | 4.220(21.03) | 140 | Meta-autunite | Ca(UO2)2(PO4)2·2-6(H2O) |
| 16.948(5.21) | 200 | 12.010(7.35) | 48 | 7.210(12.27) | 18 | Hydrochlorborite | Ca2B4O4(OH)7Cl·7(H2O) |
| 16.960(5.21) | 200 | 6.074(14.57) | 110 | 8.192(10.79) | 110 | Indialite | Mg2Al4Si5O18 |
| 16.960(5.21) | 200 | 5.428(16.32) | 104 | 6.568(13.47) | 80 | Potassic-magnesiohastingsite | (K,Na)Ca2(Mg,Fe++,Fe+++,Al)5(Si,Al)8O22(OH,Cl)2 |
| 16.980(5.20) | 200 | 12.020(7.35) | 180 | 6.146(14.40) | 140 | Metavanmeersscheite | U++++++(UO2)3(PO4)2(OH)6·2(H2O) |
| 17.000(5.19) | 200 | 4.708(18.83) | 80 | 8.496(10.40) | 66 | Zincowoodwardite-3R | [Zn1BxAlx(OH)2][(SO4)x/2·n(H2O)], 0.32 < x < 0.50, n = 0.59 |
| 17.000(5.19) | 200 | 8.500(10.40) | 182 | 8.360(10.57) | 46 | Chalcoalumite | CuAl4(SO4)(OH)12·3(H2O) |
| 17.000(5.19) | 200 | 6.504(13.60) | 126 | 6.076(14.57) | 116 | Lanthanite-(Nd) | (Nd,La)2(CO3)3·8(H2O) |
| 17.000(5.19) | 200 | 6.300(14.05) | 160 | 5.436(16.29) | 120 | Ferropargasite | NaCa2(Fe++4Al)Si6Al2O22(OH)2 |
| 17.020(5.19) | 200 | 8.440(10.47) | 160 | 6.520(13.57) | 120 | Metatyuyamunite | Ca(UO2)2V2O8·3(H2O) |
| 17.020(5.19) | 200 | 5.240(16.91) | 50 | 6.280(14.09) | 36 | Simplotite | CaV++++4O9·5(H2O) |
| 17.024(5.19) | 200 | 6.306(14.03) | 134 | 5.654(15.66) | 62 | Kozulite | NaNa2Mn++4(Fe+++,Al)Si8O22(OH)2 |
| 17.040(5.18) | 200 | 7.140(12.39) | 180 | 4.280(20.74) | 120 | Metanovacekite | Mg(UO2)2(AsO4)2·4-8(H2O) |
| 17.040(5.18) | 200 | 6.318(14.01) | 180 | 5.456(16.23) | 150 | Ferrohornblende | [ ]Ca2[Fe++4(Al,Fe+++)]Si7AlO22(OH)2 |
| 17.040(5.18) | 200 | 7.094(12.47) | 180 | 7.330(12.06) | 180 | Karchevskyite | [Mg18Al9(OH)54][Sr2(CO3,PO4)9(H2O,H3O)11] |
| 17.040(5.18) | 200 | 6.442(13.73) | 180 | 7.442(11.88) | 120 | Rollandite | Cu3(AsO4)2·4(H2O) |
| 17.040(5.18) | 200 | 6.840(12.93) | 140 | 6.200(14.27) | 120 | Hydrodresserite | BaAl2(CO3)2(OH)4·3(H2O) |
| 17.060(5.18) | 200 | 6.320(14.00) | 102 | 5.498(16.11) | 46 | Potassic-chlorohastingsite | (K,Na)Ca2(Fe++,Mg)4Fe+++[Si6Al2O22](Cl,OH)2 |
| 17.060(5.18) | 200 | 6.368(13.90) | 80 | 18.040(4.89) | 56 | Potassicarfvedsonite | KNa2Fe++4Fe+++Si8O22(OH)2 |
| 17.060(5.18) | 200 | 6.320(14.00) | 102 | 5.498(16.11) | 46 | Chloro-potassichastingsite | KCa2(Fe++3MgFe+++)(Si6Al2)S8O22Cl2 |
| 17.086(5.17) | 200 | 3.994(22.24) | 40 | 15.754(5.61) | 40 | Nickelalumite | (Ni,Cu)Al4[(SO4),(NO3)2](OH)12·3(H2O) |
| 17.100(5.16) | 200 | 5.170(17.14) | 120 | 14.256(6.19) | 80 | Metaswitzerite | Mn3(PO4)2·4(H2O) |
| 17.100(5.16) | 200 | 5.544(15.97) | 140 | 8.220(10.75) | 120 | Fontanite | Ca[(UO2)3(CO3)2O2]·6(H2O) |
| 17.100(5.16) | 200 | 8.540(10.35) | 80 | 15.740(5.61) | 30 | Mbobomkulite | (Ni,Cu)Al4(NO3,SO4)2(OH)12·3(H2O) |
| 17.100(5.16) | 200 | 5.608(15.79) | 160 | 8.316(10.63) | 100 | Parascholzite | CaZn2(PO4)2·2(H2O) |
| 17.116(5.16) | 100 | 16.214(5.45) | 50 | 8.088(10.93) | 200 | Knasibfite | K3Na4[SiF6]3[BF4] |
| 17.120(5.16) | 200 | 7.000(12.64) | 160 | 4.460(19.89) | 140 | Lehnerite | Mn[UO2/PO4]2·8(H2O) |
| 17.120(5.16) | 200 | 8.500(10.40) | 160 | 12.140(7.28) | 160 | Arsenovanmeersscheite | U(OH)4[(UO2)3(AsO4)2(OH)2]·4H2O |
| 17.120(5.16) | 200 | 5.698(15.54) | 66 | 20.620(4.28) | 66 | Bakhchisaraitsevite | Na2Mg5(PO4)4·7(H2O) |
| 17.120(5.16) | 200 | 13.240(6.67) | 140 | 18.060(4.89) | 120 | Ruitenbergite | Ca9B26O34(OH)24Cl4·13(H2O) |
| 17.140(5.15) | 200 | 5.958(14.86) | 182 | 7.436(11.89) | 158 | Yoshiokaite | (Ca8-(x/2)[ ](x/2)Al16-xSixO32) |
| 17.142(5.15) | 200 | 14.540(6.07) | 80 | 17.744(4.98) | 60 | Magnesiopascoite | Ca2Mg[V10O28]·16H2O |
| 17.160(5.15) | 200 | 5.456(16.23) | 80 | 6.314(14.01) | 70 | Ferro-actinolite | [ ]Ca2Fe++5Si8O22(OH)2 |
| 17.160(5.15) | 200 | 5.478(16.17) | 140 | 6.360(13.91) | 130 | Ferrorichterite | Na(CaNa)Fe++5[Si8O22](OH)2 |
| 17.176(5.14) | 200 | 5.576(15.88) | 180 | 8.460(10.45) | 140 | Scholzite | CaZn2(PO4)2·2(H2O) |
| 17.180(5.14) | 200 | 7.580(11.66) | 180 | 6.600(13.40) | 160 | Trogerite | H2(UO2)2(AsO4)2·8(H2O) |
| 17.180(5.14) | 200 | 7.180(12.32) | 160 | 10.680(8.27) | 160 | Machatschkiite | Ca6(AsO4)(AsO3OH)3(PO4,SO4)·15(H2O) |
| 17.218(5.13) | 200 | 6.152(14.39) | 132 | 6.492(13.63) | 98 | Chesterite | (Mg,Fe++)17Si20O54(OH)6 |
| 17.232(5.12) | 200 | 4.432(20.02) | 192 | 6.964(12.70) | 152 | Bassetite | Fe++(UO2)2(PO4)2·8(H2O) |
| 17.250(5.12) | 200 | 7.136(12.39) | 100 | 10.088(8.76) | 58 | Metarauchite | Ni(UO2)2(AsO4)2·8H2O |
| 17.260(5.12) | 200 | 5.480(16.16) | 120 | 11.220(7.87) | 100 | Robertsite | Ca6Mn+++9(PO4)9O6(H2O)6·3(H2O) |
| 17.276(5.11) | 200 | 13.234(6.67) | 58 | 5.736(15.43) | 48 | Tuzlaite | NaCaB508(0H)2·3(H2O) |
| 17.280(5.11) | 200 | 2.860(31.25) | 160 | 8.640(10.23) | 160 | Scarbroite | Al5(CO3)(OH)13·5(H2O) |
| 17.280(5.11) | 200 | 5.442(16.27) | 140 | 11.100(7.96) | 120 | Mitridatite | Ca2Fe+++3(PO4)3O2·3(H2O) |
| 17.320(5.10) | 200 | 5.666(15.63) | 180 | 5.992(14.77) | 180 | Jaffeite | Ca4(Si3O7)(OH)6 |
| 17.340(5.09) | 200 | 8.640(10.23) | 160 | 9.520(9.28) | 160 | Swamboite | U++++++H6(UO2)6(SiO4)6·30(H2O) |
| 17.380(5.08) | 200 | 22.600(3.91) | 200 | 7.140(12.39) | 160 | Amarantite | Fe+++(SO4)(OH)·3(H2O) |
| 17.380(5.08) | 200 | 5.768(15.35) | 120 | 11.320(7.80) | 120 | Pararobertsite | Ca2Mn+++3(PO4)3O2·3(H2O) |
| 17.400(5.07) | 200 | 25.200(3.50) | 200 | 19.300(4.57) | 160 | Voglite | Ca2Cu(UO2)(CO3)4·6(H2O) |
| 17.430(5.07) | 200 | 8.126(10.88) | 100 | 11.544(7.65) | 100 | Mcallisterite | Mg2B12O14(OH)12·9(H2O) |
| 17.440(5.06) | 200 | 5.280(16.78) | 180 | 18.720(4.72) | 140 | Synadelphite | (Mn,Mg,Ca,Pb)9(As+++O3)(As+++++O4)2(OH)9·2(H2O) (?) |
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