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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.
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 5.420(16.34) | 200 | 5.520(16.04) | 200 | 7.800(11.33) | 120 | Hematophanite | Pb4Fe+++3O8(OH,Cl) |
| 5.420(16.34) | 200 | 5.072(17.47) | 184 | 6.808(12.99) | 114 | Fluoro-ferroleakeite | NaNa2(Fe++2Fe+++2Li)Si8O22F2 |
| 5.420(16.34) | 200 | 6.020(14.70) | 180 | 8.260(10.70) | 160 | Galileiite | NaFe++4(PO4)3 |
| 5.420(16.34) | 200 | 6.380(13.87) | 140 | 8.500(10.40) | 140 | Gismondine | Ca2Al4Si4O16·9(H2O) |
| 5.420(16.34) | 200 | 3.900(22.78) | 190 | 5.920(14.95) | 190 | Matsubaraite | Sr4TiTi4Si4O22 |
| 5.420(16.34) | 200 | 3.520(25.28) | 126 | 6.880(12.86) | 80 | Marcasite | FeS2 |
| 5.420(16.34) | 200 | 6.280(14.09) | 200 | 6.340(13.96) | 200 | Chevkinite-(Ce) | (Ce,La,Ca,Th)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22 |
| 5.420(16.34) | 200 | 6.180(14.32) | 160 | 15.820(5.58) | 140 | Scheuchzerite | Na(Mn,Mg)9[VSi9O28(OH)](OH)3 |
| 5.424(16.33) | 200 | 6.070(14.58) | 160 | 4.950(17.90) | 120 | Schorlomite | Ca3(Ti,Fe+++,Al)2[(Si,Fe+++,Fe++)O4]3 |
| 5.424(16.33) | 200 | 6.046(14.64) | 180 | 4.954(17.89) | 160 | Krutaite | CuSe2 |
| 5.424(16.33) | 200 | 5.180(17.10) | 180 | 13.880(6.36) | 80 | Uytenbogaardtite | Ag3AuS2 |
| 5.424(16.33) | 200 | 4.698(18.87) | 176 | 3.322(26.81) | 86 | Monteponite | CdO |
| 5.426(16.32) | 200 | 6.226(14.21) | 160 | 16.790(5.26) | 124 | Parvo-manganotremolite | [ ](CaMn)2Mg5(Si7Al)O22(OH)2 |
| 5.426(16.32) | 200 | 3.398(26.20) | 170 | 4.955(17.89) | 160 | Karelianite | V2O3 |
| 5.428(16.32) | 200 | 5.764(15.36) | 188 | 9.100(9.71) | 126 | Pyrocoproite | (Mg(K,Na))2P2O7 |
| 5.428(16.32) | 200 | 16.720(5.28) | 152 | 6.200(14.27) | 132 | Parvowinchite | Na(NaMn++)(Mg4Fe+++)Si8O22(OH)2 |
| 5.428(16.32) | 200 | 6.240(14.18) | 180 | 5.004(17.71) | 160 | Glaucophane | [ ]Na2(Mg3Al2)Si8O22(OH)2 |
| 5.428(16.32) | 200 | 16.800(5.26) | 160 | 5.124(17.29) | 140 | Potassic-chloropargasite | (K,Na)Ca2(Mg,Fe2+)4Al(Si6Al2O22)(Cl,OH)2 |
| 5.428(16.32) | 200 | 13.540(6.52) | 160 | 5.348(16.56) | 150 | Balangeroite | (Mg,Fe+++,Fe++,Mn++)42Si16O54(OH)40 |
| 5.428(16.32) | 200 | 7.220(12.25) | 180 | 10.860(8.13) | 160 | Clinobehoite | Be(OH)2 |
| 5.430(16.31) | 200 | 3.718(23.91) | 100 | 3.966(22.40) | 100 | Sudovikovite | PtSe2 |
| 5.430(16.31) | 200 | 6.360(13.91) | 100 | 4.320(20.54) | 90 | Polyakovite-(Ce) | (Ce,La,Nd,Pr,Ca)4(Mg,Fe++)(Cr,Fe+++)2(Ti,Nb)2Si4O22 |
| 5.430(16.31) | 200 | 4.596(19.30) | 72 | 3.366(26.46) | 48 | Indium | In |
| 5.430(16.31) | 200 | 5.460(16.22) | 100 | 6.988(12.66) | 94 | IMA2008-064 | Na16Mn++25Al8(PO4)30 |
| 5.430(16.31) | 200 | 7.020(12.60) | 160 | 3.680(24.16) | 100 | Retzian-(La) | (Mn,Mg)2(La,Ce,Nd)(AsO4)(OH)4 |
| 5.434(16.30) | 200 | 7.106(12.45) | 160 | 3.696(24.06) | 100 | Retzian-(Ce) | Mn2Ce(AsO4)(OH)4 |
| 5.434(16.30) | 200 | 5.514(16.06) | 200 | 8.080(10.94) | 160 | Soucekite | PbCuBi(S,Se)3 |
| 5.434(16.30) | 200 | 5.622(15.75) | 160 | 4.522(19.62) | 70 | Carbonate-hydroxylapatite | Ca5(PO4,CO3)3(OH) |
| 5.436(16.29) | 200 | 3.792(23.44) | 100 | 3.910(22.72) | 100 | Verbeekite | PdSe2 |
| 5.436(16.29) | 200 | 4.994(17.75) | 180 | 7.060(12.53) | 180 | Bideauxite | Pb2AgCl3(F,OH)2 |
| 5.436(16.29) | 200 | 5.696(15.54) | 180 | 5.750(15.40) | 170 | Manganilvaite | CaFe++Fe+++(Mn,Fe++)(Si2O7)O(OH) |
| 5.438(16.29) | 200 | 8.220(10.75) | 200 | 3.634(24.48) | 160 | Gmelinite-K | (K,Na,Ca)6(Al7Si17O48)·22(H2O) |
| 5.440(16.28) | 200 | 3.312(26.90) | 140 | 4.280(20.74) | 100 | Braunite-I | Mn++Mn+++6SiO12 |
| 5.440(16.28) | 200 | 16.960(5.21) | 162 | 5.220(16.97) | 118 | Potassic-ferropargasite | KCa2(Fe++4Al)Si6Al2O22(OH)2 |
| 5.440(16.28) | 200 | 5.560(15.93) | 200 | 6.120(14.46) | 160 | Tundrite-(Ce) | Na2Ce2TiO2(SiO4)(CO3)2 |
| 5.440(16.28) | 200 | 3.314(26.88) | 180 | 2.842(31.45) | 160 | Bixbyite | (Mn+++,Fe+++)2O3 |
| 5.440(16.28) | 200 | 6.360(13.91) | 160 | 8.960(9.86) | 140 | Rankinite | Ca3Si2O7 |
| 5.440(16.28) | 200 | 5.200(17.04) | 160 | 7.440(11.89) | 140 | Natrophilite | NaMnPO4 |
| 5.440(16.28) | 200 | 3.654(24.34) | 180 | 4.900(18.09) | 160 | Glaucodot | (Co,Fe)AsS |
| 5.440(16.28) | 200 | 7.700(11.48) | 160 | 3.498(25.44) | 140 | Seligmannite | PbCuAsS3 |
| 5.440(16.28) | 200 | 16.560(5.33) | 180 | 18.000(4.91) | 180 | Manganocummingtonite | Na(Na,Mn)2(Mg4,Fe+++)5Si8O22(OH)2 |
| 5.440(16.28) | 200 | 17.800(4.96) | 200 | 6.580(13.45) | 180 | Kolfanite | Ca2Fe+++3O2(AsO4)3·2(H2O) |
| 5.440(16.28) | 200 | 7.580(11.66) | 180 | 3.820(23.27) | 160 | Buchwaldite | NaCaPO4 |
| 5.440(16.28) | 200 | 6.078(14.56) | 144 | 3.252(27.40) | 112 | Morimotoite | Ca3TiFe++Si3O12 |
| 5.440(16.28) | 200 | 16.840(5.24) | 200 | 6.180(14.32) | 160 | Riebeckite | [ ]Na2(Fe++3Fe+++2)Si8O22(OH)2 |
| 5.440(16.28) | 200 | 3.312(26.90) | 140 | 4.280(20.74) | 100 | Braunite-II | Mn++Mn+++6SiO12 |
| 5.444(16.27) | 200 | 17.344(5.09) | 160 | 4.374(20.29) | 100 | IMA2007-010 | PbHgAs2S6 |
| 5.444(16.27) | 200 | 4.436(2-) | 140 | 5.054(17.53) | 110 | Geikielite | MgTiO3 |
| 5.444(16.27) | 200 | 17.030(5.18) | 160 | 6.814(12.98) | 120 | IMA2009-034 | NaNa2(Fe++3Fe+++Ti)Si8O22O2 |
| 5.444(16.27) | 200 | 8.440(10.47) | 180 | 6.282(14.09) | 160 | Amicite | K2Na2Al4Si4O16·5(H2O) |
| 5.444(16.27) | 200 | 6.980(12.67) | 160 | 5.520(16.04) | 80 | Maoniupingite-(Ce) | (REE,Ca)4(Fe+++,Ti,Fe++,[ ])(Ti,Fe+++,Fe++,Nb)4Si4O22 |
| 5.446(16.26) | 200 | 5.984(14.79) | 180 | 6.220(14.23) | 160 | Prosperite | CaZn2(AsO4)2·(H2O) |
| 5.446(16.26) | 200 | 3.327(26.77) | 80 | 5.558(15.93) | 80 | Stavelotite-(La) | La3Mn++3Cu++(Mn+++,Fe+++,Mn++++)26(Si2O7)6O30 |
| 5.448(16.26) | 200 | 5.278(16.78) | 114 | 4.062(21.86) | 100 | Clinophosinaite | Na3CaPSiO7 |
| 5.450(16.25) | 200 | 6.100(14.51) | 160 | 4.122(21.54) | 150 | Congolite | (Fe++,Mg,Mn)3B7O13Cl |
| 5.450(16.25) | 200 | 5.832(15.18) | 180 | 5.998(14.76) | 160 | Marsturite | NaCaMn3[Si5O14(OH)] |
| 5.452(16.24) | 200 | 10.944(8.07) | 64 | 6.910(12.80) | 34 | Hejtmanite | Ba(Mn,Fe++)2TiO(Si2O7)(OH,F)2 |
| 5.452(16.24) | 200 | 7.068(12.51) | 120 | 9.780(9.03) | 60 | Retzian-(Nd) | Mn2(Nd,Ce,La)(AsO4)(OH)4 |
| 5.454(16.24) | 200 | 6.896(12.83) | 174 | 7.792(11.35) | 132 | Cesanite | Na7Ca3(SO4)6(OH)·0.8(H2O) |
| 5.456(16.23) | 200 | 3.344(26.63) | 170 | 2.854(31.32) | 120 | Neltnerite | CaMn+++6SiO12 |
| 5.458(16.23) | 200 | 5.832(15.18) | 200 | 6.840(12.93) | 110 | Parwelite | (Mn,Mg)5Sb(As,Si)2O12 |
| 5.458(16.23) | 200 | 4.014(22.13) | 90 | 3.020(29.55) | 70 | Kitkaite | NiTeSe |
| 5.460(16.22) | 200 | 5.760(15.37) | 180 | 5.180(17.10) | 140 | Cebollite | Ca5Al2(SiO4)3(OH)4 |
| 5.460(16.22) | 200 | 5.680(15.59) | 200 | 6.560(13.49) | 200 | Semenovite | (Na,Ca)9(Ce,La)2(Fe++,Mn)(Si,Be)20(O,OH,F)48 |
| 5.460(16.22) | 200 | 6.600(13.40) | 200 | 7.160(12.35) | 200 | Vaterite | CaCO3 |
| 5.460(16.22) | 200 | 4.446(19.95) | 140 | 7.982(11.08) | 140 | Brodtkorbite | Cu2HgSe2 |
| 5.460(16.22) | 200 | 5.880(15.05) | 120 | 3.680(24.16) | 80 | Stornesite-(Y) | (Y, Ca)[ ]2Na6(Ca,Na)8(Mg,Fe)43(PO4)36 |
| 5.460(16.22) | 200 | 12.600(7.01) | 160 | 6.140(14.41) | 130 | Alluaudite | NaCaFe++(Mn,Fe++,Fe+++,Mg)2(PO4)3 |
| 5.460(16.22) | 200 | 5.060(17.51) | 180 | 3.420(26.03) | 140 | Ecandrewsite | (Zn,Fe++,Mn++)TiO3 |
| 5.464(16.21) | 200 | 5.828(15.19) | 200 | 11.046(8.00) | 160 | Melanotekite | Pb2Fe+++2Si2O9 |
| 5.466(16.20) | 200 | 5.528(16.02) | 200 | 5.567(15.91) | 200 | Rheniite | ReS2 |
| 5.470(16.19) | 200 | 5.790(15.29) | 160 | 6.000(14.75) | 160 | Tassieite | (Na,[ ])Ca2(Mg,Fe++,Fe+++)2(Fe+++,Mg)2(Fe++,Mg)2(PO4)6(H2O)2 |
| 5.470(16.19) | 200 | 5.544(15.97) | 200 | 4.648(19.08) | 60 | Tillmannsite | (Ag3Hg)(V,As)O4 |
| 5.472(16.18) | 200 | 10.680(8.27) | 130 | 7.380(11.98) | 100 | Artinite | Mg2(CO3)(OH)2·3(H2O) |
| 5.474(16.18) | 200 | 5.748(15.40) | 140 | 8.150(10.85) | 100 | Schreyerite | V+++2Ti3O9 |
| 5.480(16.16) | 200 | 3.536(25.16) | 100 | 5.370(16.49) | 90 | Bournonite | PbCuSbS3 |
| 5.480(16.16) | 200 | 5.720(15.48) | 200 | 5.800(15.26) | 200 | Kentrolite | Pb2Mn+++2Si2O9 |
| 5.480(16.16) | 200 | 5.120(17.31) | 80 | 6.800(13.01) | 80 | Varulite | NaCaMn(Mn,Fe++,Fe+++)2(PO4)3 |
| 5.480(16.16) | 200 | 7.560(11.70) | 140 | 6.100(14.51) | 120 | Hutchinsonite | (Pb,Tl)2As5S9 |
| 5.480(16.16) | 200 | 4.388(20.22) | 110 | 4.874(18.19) | 110 | Kraisslite | (Mn++,Mg)24Zn3Fe+++(As+++O3)2(As+++++O4)3(SiO4)6(OH)18 |
| 5.480(16.16) | 200 | 4.960(17.87) | 180 | 6.540(13.53) | 160 | Proustite | Ag3AsS3 |
| 5.480(16.16) | 200 | 5.540(15.98) | 200 | 3.740(23.77) | 180 | Ruarsite | RuAsS |
| 5.480(16.16) | 200 | 14.880(5.93) | 110 | 5.132(17.26) | 106 | Phosinaite-(Ce) | Na13Ca2Ce[Si4O12](PO4)4 |
| 5.480(16.16) | 200 | 5.720(15.48) | 160 | 3.360(26.51) | 140 | Mosesite | Hg2N(Cl,SO4,MoO4,CO3)·(H2O) |
| 5.480(16.16) | 200 | 3.164(28.18) | 50 | 7.740(11.42) | 50 | Salammoniac | NH4Cl |
| 5.482(16.15) | 200 | 3.384(26.31) | 90 | 7.086(12.48) | 72 | Gaspeite | (Ni,Mg,Fe++)CO3 |
| 5.484(16.15) | 200 | 4.204(21.12) | 90 | 3.400(26.19) | 70 | Magnesite | MgCO3 |
| 5.486(16.14) | 200 | 6.424(13.77) | 140 | 7.444(11.88) | 80 | Yecoraite | Bi5Fe+++3(Te++++O3)(Te++++++O4)2O9·9(H2O) |
| 5.486(16.14) | 200 | 7.102(12.45) | 80 | 3.404(26.16) | 60 | Sphaerocobaltite | CoCO3 |
| 5.486(16.14) | 200 | 3.228(27.61) | 112 | 5.514(16.06) | 110 | Holtstamite | Ca3(Al,Mn+++)2(SiO4)2(OH)4 |
| 5.486(16.14) | 200 | 5.744(15.41) | 200 | 11.022(8.01) | 160 | Gianellaite | Hg4(SO4)N2 |
| 5.488(16.14) | 200 | 6.390(13.85) | 120 | 8.120(10.89) | 100 | Nickenichite | Na0,8Ca0,4(Mg,Fe+++,Al)3Cu0,4(AsO4)3 |
| 5.488(16.14) | 200 | 7.774(11.37) | 158 | 3.884(22.88) | 114 | Latrappite | (Ca,Na)(Nb,Ti,Fe)O3 |
| 5.490(16.13) | 200 | 7.900(11.19) | 120 | 6.240(14.18) | 110 | Bobtraillite | (Na,Ca)13Sr11(Zr,Y,Nb)14Si42B6O132(OH)12·12H2O |
| 5.490(16.13) | 200 | 7.774(11.37) | 160 | 3.166(28.16) | 140 | Lafossaite | Tl(Cl,Br) |
| 5.492(16.13) | 200 | 5.536(16.00) | 200 | 4.922(18.01) | 160 | Imiterite | Ag2HgS2 |
| 5.492(16.13) | 200 | 3.174(28.09) | 100 | 3.884(22.88) | 80 | Loparite-(Ce) | (Ce,Na,Ca)2(Ti,Nb)2O6 |
| 5.492(16.13) | 200 | 6.860(12.89) | 64 | 27.600(3.20) | 50 | Arctite | Na2Ca4(PO4)3F |
| 5.496(16.11) | 200 | 2.886(30.96) | 70 | 2.950(30.27) | 66 | Paranatisite | Na2[TiO(SiO4)] |
| 5.498(16.11) | 200 | 5.628(15.73) | 188 | 4.782(18.54) | 170 | Fetiasite | (Fe++,Fe+++,Ti++++)3O2(As+++2O5) |