X-Ray Diffraction Table

X-Ray Diffraction Table

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Minerals Arranged by X-Ray Powder Diffraction

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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Listing of 342 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.6656 AND d1 < 2.7744)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.666(33.59) 100 1.540(60.02) 50 2.901(30.80) 40 Rondorfite Ca8Mg(SiO4)4Cl2
2.666(33.59) 100 3.637(24.45) 40 2.586(34.66) 40 Monticellite CaMgSiO4
2.666(33.59) 100 6.320(14.00) 95 3.057(29.19) 95 Oxammite (NH4)2(C2O4)•(H2O)
2.666(33.59) 100 4.258(20.84) 75 5.056(17.53) 66 Juangodoyite Na2Cu(CO3)2
2.666(33.59) 100 3.057(29.19) 95 6.320(14.00) 95 Oxammite (NH4)2(C2O4)•(H2O)
2.666(33.59) 100 2.586(34.66) 40 3.637(24.45) 40 Monticellite CaMgSiO4
2.667(33.57) 100 1.766(51.72) 100 3.099(28.78) 100 Yftisite-(Y) (Y,Dy,Er)4(Ti,Sn)O(SiO4)2(F,OH)6
2.669(33.55) 100 2.878(31.05) 80 5.680(15.59) 70 Comancheite Hg13(Cl,Br)8O9
2.669(33.55) 100 3.214(27.73) 53 5.333(16.61) 37 Ellisite Tl3AsS3
2.669(33.55) 100 3.910(22.72) 60 1.788(51.04) 50 Jarosewichite Mn++3Mn+++(AsO4)(OH)6
2.670(33.54) 100 1.540(60.02) 100 15.400(5.73) 100 Sauconite Na0,3Zn3(Si,Al)4O10(OH)2•4(H2O)
2.670(33.54) 100 1.886(48.21) 100 7.570(11.68) 100 Borcarite Ca4MgB4O6(OH)6(CO3)2
2.670(33.54) 100 2.520(35.60) 100 2.980(29.96) 100 Hydrohalite NaCl•2(H2O)
2.670(33.54) 100 3.120(28.59) 100 2.700(33.15) 100 Harmotome (Ba,Na,K)1-2(Si,Al)8O16•6(H2O)
2.670(33.54) 100 2.230(40.41) 100 2.180(41.38) 100 Kotoite Mg3B2O6
2.670(33.54) 100 2.640(33.93) 90 6.710(13.18) 60 Natrofairchildite Na2Ca(CO3)2
2.670(33.54) 100 2.420(37.12) 90 8.180(10.81) 70 Natrophosphate Na7(PO4)2F•19(H2O)
2.670(33.54) 100 2.700(33.15) 100 3.120(28.59) 100 Harmotome (Ba,Na,K)1-2(Si,Al)8O16•6(H2O)
2.670(33.54) 100 3.250(27.42) 60 3.120(28.59) 50 Ilimaussite-(Ce) (Ba,Na)10K3Na4.5Ce5(Nb,Ti)6[Si12O36][Si9O18(O,OH)24]O6
2.671(33.52) 100 1.890(48.10) 63 3.087(28.90) 29 Carobbiite KF
2.673(33.50) 100 2.960(30.17) 100 4.810(18.43) 90 Clinotyrolite Ca2Cu9[(As,S)O4]4(OH)10•10(H2O)
2.674(33.48) 100 2.693(33.24) 100 6.150(14.39) 60 Wyllieite (Na,Ca,Mn++)(Mn++,Fe++)(Fe++,Fe+++,Mg)Al(PO4)3
2.674(33.48) 100 3.773(23.56) 90 8.036(11.00) 85 Abenakiite-(Ce) Na26REE6(SiO3)6(PO4)6(CO3)6(S++++O2)O
2.674(33.48) 100 2.693(33.24) 100 6.150(14.39) 60 Ferrowyllieite (Na,Ca,Mn)(Fe++,Mn)(Fe++,Fe+++,Mg)Al(PO4)3
2.674(33.48) 100 2.693(33.24) 100 6.150(14.39) 60 Rosemaryite (Na,Ca,Mn++)(Mn++,Fe++)(Fe+++,Fe++,Mg)Al(PO4)3
2.674(33.48) 100 4.187(21.20) 76 2.459(36.51) 40 Tychite Na6Mg2(CO3)4(SO4)
2.675(33.47) 100 2.883(30.99) 90 3.960(22.43) 70 Imhofite Tl6CuAs16S40
2.675(33.47) 100 3.002(29.74) 66 8.110(10.90) 56 Fluoro-sodic-pedrizite NaLi2(Mg2Al2Li)S5Si8O22F2
2.675(33.47) 100 7.130(12.40) 80 3.564(24.96) 60 Pyrosmalite-(Fe) (Fe++,Mn)8Si6O15(OH,Cl)10
2.676(33.46) 100 9.800(9.02) 60 3.230(27.59) 60 Johninnesite Na2Mg4Mn++12(AsO4)2(Si12O35)(OH)6
2.676(33.46) 100 7.381(11.98) 100 3.690(24.10) 100 Srebrodolskite Ca2Fe+++2O5
2.676(33.46) 100 3.690(24.10) 100 7.381(11.98) 100 Srebrodolskite Ca2Fe+++2O5
2.676(33.46) 100 3.230(27.59) 60 9.800(9.02) 60 Johninnesite Na2Mg4Mn++12(AsO4)2(Si12O35)(OH)6
2.676(33.46)
-
2.895(30.86)
-
3.316(26.86)
-
Berdesinskiite V+++2TiO5
2.676(33.46) 100 2.630(34.06) 64 1.920(47.30) 36 Jagueite Cu2Pd3Se4
2.677(33.45) 100 2.662(33.64) 100 2.418(37.15) 95 Arsenopyrite FeAsS
2.677(33.45) 100 2.693(33.24) 75 3.448(25.82) 65 Ferrorosemaryite [ ]NaFe++Fe+++Al(PO4)3
2.680(33.41) 100 4.260(20.83) 85 3.310(26.91) 85 Itoigawaite SrAl2Si2O7(OH)2•(H2O)
2.680(33.41) 100 2.450(36.65) 100 1.806(50.49) 90 Penroseite (Ni,Co,Cu)Se2
2.680(33.41) 100 4.890(18.13) 100 2.450(36.65) 50 Mayenite Ca12Al14O33
2.680(33.41) 100 2.080(43.47) 40 5.900(15.00) 32 Molysite Fe+++Cl3
2.680(33.41) 100 2.900(30.81) 100 2.690(33.28) 70 Epidote Ca2(Fe+++,Al)3(SiO4)3(OH) = Ca2(Fe,Al)Al2(SiO4)(Si2O7)O(OH)
2.680(33.41) 100 3.310(26.91) 85 4.260(20.83) 85 Itoigawaite SrAl2Si2O7(OH)2•(H2O)
2.680(33.41) 100 4.180(21.24) 90 2.470(36.34) 80 Ferrotychite Na6Fe++2(SO4)(CO3)4
2.680(33.41) 100 4.760(18.63) 81 2.656(33.72) 50 Reppiaite Mn++5[(V,As)O4]2(OH)4
2.681(33.39) 100 2.846(31.41) 80 1.583(58.23) 50 Graeserite (Fe+++,Ti)4Ti3AsO13(OH)
2.684(33.36) 100 2.999(29.77) 70 1.603(57.44) 60 Uvarovite Ca3Cr2(SiO4)3
2.685(33.34) 100 2.512(35.71) 90 3.472(25.64) 90 Qingheiite Na2(Mn++,Mg,Fe++)(Al,Fe+++)(PO4)3
2.685(33.34) 100 3.472(25.64) 90 2.512(35.71) 90 Qingheiite Na2(Mn++,Mg,Fe++)(Al,Fe+++)(PO4)3
2.686(33.33) 100 3.003(29.73) 42 2.452(36.62) 39 Wadalite Ca6Al5Si2O16Cl3
2.686(33.33) 100 2.593(34.56) 75 3.420(26.03) 60 Hagendorfite NaCaMn(Fe++,Fe+++,Mg)2(PO4)3
2.686(33.33) 100 2.578(34.77) 100 1.435(64.93) 90 Fluorocannilloite CaCa2(Mg4Al)Si5Al3O22F2
2.687(33.32) 100 2.671(33.52) 65 2.653(33.76) 47 Merwinite Ca3Mg(SiO4)2
2.687(33.32) 100 4.435(2-) 80 3.377(26.37) 80 IMA2009-012 NaNa2(Mg2Al2Li)Si8O22F2
2.687(33.32) 100 10.650(8.30) 60 3.079(28.98) 55 Nyboite NaNa2(Mg3Al2)Si7AlO22(OH)2
2.687(33.32) 100 3.377(26.37) 80 4.435(2-) 80 IMA2009-012 NaNa2(Mg2Al2Li)Si8O22F2
2.688(33.30) 100 3.005(29.71) 65 1.607(57.28) 49 Goldmanite Ca3(V,Al,Fe+++)2(SiO4)3
2.688(33.30) 100 2.996(29.80) 69 2.963(30.14) 48 Schlegelite Bi7O4(MoO4)2(AsO4)3
2.690(33.28) 100 3.038(29.38) 40 3.130(28.49) 37 Hillite Ca2(Zn, Mg)[PO4]2•2(H2O)
2.690(33.28) 100 3.010(29.65) 70 1.610(57.17) 50 Yamatoite (Mn++,Ca)3(V+++,Al)2(SiO4)3
2.690(33.28) 100 2.870(31.14) 65 4.030(22.04) 50 Zoisite Ca2Al3(SiO4)3(OH) = Ca2AlAl2(SiO4)(Si2O7)O(OH)
2.690(33.28) 100 1.690(54.23) 60 2.510(35.74) 50 Hematite Fe2O3
2.690(33.28) 100 2.480(36.19) 100 8.000(11.05) 80 Northupite Na3Mg(CO3)2Cl
2.691(33.27) 100 2.860(31.25) 100 2.960(30.17) 100 Thomsonite-Sr (Sr,Ca)2Na[Al5Si5O20]•7(H2O)
2.691(33.27) 100 8.307(10.64) 64 3.079(28.98) 58 Fluoronyboite NaNa2(Al2Mg3)(Si7Al)O22(F,OH)2
2.691(33.27) 100 2.960(30.17) 100 2.860(31.25) 100 Thomsonite-Sr (Sr,Ca)2Na[Al5Si5O20]•7(H2O)
2.692(33.25) 100 2.790(32.05) 55 2.240(40.23) 45 Carbonate-fluorapatite Ca5(PO4,CO3)3F
2.693(33.24) 100 2.674(33.48) 100 6.150(14.39) 60 Wyllieite (Na,Ca,Mn++)(Mn++,Fe++)(Fe++,Fe+++,Mg)Al(PO4)3
2.693(33.24) 100 2.674(33.48) 100 6.150(14.39) 60 Rosemaryite (Na,Ca,Mn++)(Mn++,Fe++)(Fe+++,Fe++,Mg)Al(PO4)3
2.693(33.24) 100 2.674(33.48) 100 6.150(14.39) 60 Ferrowyllieite (Na,Ca,Mn)(Fe++,Mn)(Fe++,Fe+++,Mg)Al(PO4)3
2.693(33.24) 100 3.110(28.68) 80 8.380(10.55) 65 Kaersutite NaCa2(Mg4Ti)Si6Al2O23(OH)2
2.693(33.24) 100 3.012(29.63) 100 2.372(37.90) 80 Staurolite (Fe++,Mg)2Al9(Si,Al)4O20(O,OH)4
2.694(33.23) 100 12.000(7.36) 100 2.598(34.49) 55 Eggletonite Na2Mn8[Si11AlO29](OH)7•11(H2O)
2.695(33.22) 100 2.817(31.74) 50 2.788(32.08) 50 Harstigite Ca6MnBe4(SiO4)2(Si2O7)2(OH)2
2.695(33.22) 100 4.220(21.03) 76 2.474(36.28) 70 Manganotychite Na6(Mn++,Fe++,Mg)2(SO4)(CO3)4
2.695(33.22) 100 2.788(32.08) 50 2.817(31.74) 50 Harstigite Ca6MnBe4(SiO4)2(Si2O7)2(OH)2
2.696(33.20) 100 1.611(57.13) 60 3.015(29.60) 60 Andradite Ca3Fe+++2(SiO4)3
2.696(33.20) 100 3.015(29.60) 60 1.611(57.13) 60 Andradite Ca3Fe+++2(SiO4)3
2.697(33.19) 100 8.381(10.55) 92 3.104(28.74) 69 Alumino-magnesiotaramite Na(CaNa)(Mg3Al2)(Si6Al2)O22(OH)2
2.697(33.19) 100 2.542(35.28) 90 3.127(28.52) 80 Dellaventuraite NaNa2(Mg2,Mn+++,Li,Ti)Si8O22O2
2.697(33.19) 100 2.015(44.95) 90 2.900(30.81) 80 Teepleite Na2B(OH)4Cl
2.698(33.18) 100 2.910(30.70) 90 2.622(34.17) 60 Dissakisite-(Ce) Ca(Ce,REE)(Mg,Fe++)(Al,Fe+++)2Si3O12(OH)
2.699(33.16) 100 2.221(40.59) 34 3.328(26.77) 30 Empressite AgTe
2.700(33.15) 100 8.400(10.52) 90 2.530(35.45) 90 Winchite [ ](CaNa)Mg4(Al,Fe3+)Si8O22(OH)2
2.700(33.15) 100 2.670(33.54) 100 3.120(28.59) 100 Harmotome (Ba,Na,K)1-2(Si,Al)8O16•6(H2O)
2.700(33.15) 100 5.300(16.71) 100 4.080(21.76) 55 Kermesite Sb2S2O
2.700(33.15) 100 5.750(15.40) 100 2.445(36.73) 90 Claringbullite Cu++4(OH)7Cl
2.700(33.15) 100 8.340(10.60) 82 3.094(28.83) 67 Fluoro-alumino-magnesiotaramite Na(CaNa)(Mg3Al2)(Si6Al2)O22F2
2.700(33.15) 100 2.990(29.86) 100 7.930(11.15) 100 Clinoholmquistite [ ](Li2Mg3Al2)Si8O22(OH)2
2.700(33.15) 100 2.830(31.59) 100 3.060(29.16) 100 Saneroite Na2(Mn++,Fe+++)10Si11V+++++O34(OH)4
2.700(33.15) 100 2.020(44.83) 100 1.800(50.67) 100 Wilkmanite Ni3Se4
2.700(33.15) 100 2.400(37.44) 100 2.300(39.13) 100 Bornhardtite Co++Co+++2Se4
2.700(33.15) 100 3.060(29.16) 100 2.830(31.59) 100 Saneroite Na2(Mn++,Fe+++)10Si11V+++++O34(OH)4
2.700(33.15) 100 3.030(29.45) 95 2.670(33.54) 79 Cassidyite Ca2(Ni,Mg)(PO4)2•2(H2O)
2.700(33.15) 100 2.530(35.45) 90 8.400(10.52) 90 Winchite [ ](CaNa)Mg4(Al,Fe3+)Si8O22(OH)2
2.700(33.15) 100 1.910(47.57) 50 2.720(32.90) 40 Perovskite CaTiO3
2.700(33.15) 100 2.015(44.95) 80 1.806(50.49) 60 Sederholmite NiSe
2.701(33.14) 100 2.646(33.85) 65 2.667(33.57) 60 Spurrite Ca5(SiO4)2(CO3)
2.701(33.14) 100 8.344(10.59) 98 3.392(26.25) 74 Ferriwhittakerite Na(NaLi)(Mg2Fe+++2Li)Si8O22(OH)2
2.702(33.13) 100 3.499(25.43) 100 4.644(19.10) 55 Pucherite BiVO4

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