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 364 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.69696 AND d1 < 2.80704)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.697(33.19) 100 2.015(44.95) 90 2.900(30.81) 80 Teepleite Na2B(OH)4Cl
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 8.381(10.55) 92 3.104(28.74) 69 Alumino-magnesiotaramite Na(CaNa)(Mg3Al2)(Si6Al2)O22(OH)2
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 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 2.990(29.86) 100 7.930(11.15) 100 Clinoholmquistite [ ](Li2Mg3Al2)Si8O22(OH)2
2.700(33.15) 100 2.400(37.44) 100 2.300(39.13) 100 Bornhardtite Co++Co+++2Se4
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 3.060(29.16) 100 2.830(31.59) 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 8.340(10.60) 82 3.094(28.83) 67 Fluoro-alumino-magnesiotaramite Na(CaNa)(Mg3Al2)(Si6Al2)O22F2
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 2.830(31.59) 100 3.060(29.16) 100 Saneroite Na2(Mn++,Fe+++)10Si11V+++++O34(OH)4
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 2.015(44.95) 80 1.806(50.49) 60 Sederholmite NiSe
2.700(33.15) 100 1.910(47.57) 50 2.720(32.90) 40 Perovskite CaTiO3
2.700(33.15) 100 5.300(16.71) 100 4.080(21.76) 55 Kermesite Sb2S2O
2.700(33.15) 100 3.030(29.45) 95 2.670(33.54) 79 Cassidyite Ca2(Ni,Mg)(PO4)2•2(H2O)
2.701(33.14) 100 8.344(10.59) 98 3.392(26.25) 74 Ferriwhittakerite Na(NaLi)(Mg2Fe+++2Li)Si8O22(OH)2
2.701(33.14) 100 2.646(33.85) 65 2.667(33.57) 60 Spurrite Ca5(SiO4)2(CO3)
2.702(33.13) 100 3.499(25.43) 100 4.644(19.10) 55 Pucherite BiVO4
2.702(33.13) 100 3.150(28.31) 80 1.887(48.18) 80 Trechmannite AgAsS2
2.702(33.13) 100 1.651(55.62) 30 2.350(38.27) 15 Abswurmbachite Cu++Mn+++6SiO12
2.702(33.13) 100 1.887(48.18) 80 3.150(28.31) 80 Trechmannite AgAsS2
2.703(33.11) 100 6.240(14.18) 70 3.085(28.92) 55 Ferroalluaudite NaCaFe++(Fe++,Mn,Fe+++,Mg)2(PO4)3
2.703(33.11) 100 2.876(31.07) 90 2.789(32.07) 80 Heneuite CaMg5(PO4)3(CO3)(OH)
2.704(33.10) 100 4.393(20.20) 90 5.060(17.51) 90 Orientite Ca2Mn++Mn+++2Si3O10(OH)4
2.704(33.10) 100 5.060(17.51) 90 4.393(20.20) 90 Orientite Ca2Mn++Mn+++2Si3O10(OH)4
2.706(33.08) 100 2.446(36.71) 80 8.110(10.90) 70 Lesukite Al2(OH)5Cl•2(H2O)
2.708(33.05) 100 3.123(28.56) 75 3.386(26.30) 67 Parvo-mangano-edenite Na(CaMn)2Mg5(Si7Al)O22(OH)2
2.708(33.05) 100 2.172(41.54) 100 2.648(33.82) 90 Crawfordite Na3Sr(PO4)(CO3)
2.709(33.04) 100 5.050(17.55) 80 1.689(54.27) 70 Natisite Na2(TiO)SiO4
2.709(33.04) 100 2.419(37.14) 80 1.758(51.97) 80 Viaeneite (Fe,Pb)4S8O
2.709(33.04) 100 1.758(51.97) 80 2.419(37.14) 80 Viaeneite (Fe,Pb)4S8O
2.709(33.04) 100 2.839(31.49) 85 7.280(12.15) 70 Ilvaite CaFe++2Fe+++Si2O7O(OH)
2.710(33.03) 100 2.960(30.17) 95 3.090(28.87) 95 Matsubaraite Sr4TiTi4Si4O22
2.710(33.03) 100 3.170(28.13) 100 3.140(28.40) 100 Chevkinite-(Ce) (Ce,La,Ca,Th)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22
2.710(33.03) 100 2.420(37.12) 100 2.850(31.36) 80 Crednerite CuMnO2
2.710(33.03) 100 2.960(30.17) 95 1.950(46.53) 95 Matsubaraite Sr4TiTi4Si4O22
2.710(33.03) 100 2.220(40.60) 100 2.290(39.31) 80 Marokite CaMn+++2O4
2.710(33.03) 100 4.250(20.88) 70 3.190(27.95) 70 Gismondine Ca2Al4Si4O16•9(H2O)
2.710(33.03) 100 1.620(56.78) 100 3.030(29.45) 80 Hibschite Ca3Al2(SiO4)3-x(OH)4x(x=0.2-1.5)
2.710(33.03) 100 3.090(28.87) 80 7.910(11.18) 70 Scheuchzerite Na(Mn,Mg)9[VSi9O28(OH)](OH)3
2.710(33.03) 100 3.190(27.95) 70 4.250(20.88) 70 Gismondine Ca2Al4Si4O16•9(H2O)
2.710(33.03) 100 3.140(28.40) 100 3.170(28.13) 100 Chevkinite-(Ce) (Ce,La,Ca,Th)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22
2.710(33.03) 100 3.010(29.65) 90 4.130(21.50) 80 Galileiite NaFe++4(PO4)3
2.710(33.03) 100 2.760(32.41) 100 3.900(22.78) 60 Hematophanite Pb4Fe+++3O8(OH,Cl)
2.710(33.03) 100 2.536(35.36) 92 3.404(26.16) 57 Fluoro-ferroleakeite NaNa2(Fe++2Fe+++2Li)Si8O22F2
2.710(33.03) 100 1.950(46.53) 95 2.960(30.17) 95 Matsubaraite Sr4TiTi4Si4O22
2.710(33.03) 100 1.760(51.91) 63 3.440(25.88) 40 Marcasite FeS2
2.712(33.00) 100 3.035(29.40) 80 2.475(36.27) 60 Schorlomite Ca3(Ti,Fe+++,Al)2[(Si,Fe+++,Fe++)O4]3
2.712(33.00) 100 2.590(34.60) 90 6.940(12.74) 40 Uytenbogaardtite Ag3AuS2
2.712(33.00) 100 3.023(29.52) 90 2.477(36.24) 80 Krutaite CuSe2
2.712(33.00) 100 2.349(38.28) 88 1.661(55.26) 43 Monteponite CdO
2.713(32.99) 100 3.113(28.65) 80 8.395(10.53) 62 Parvo-manganotremolite [ ](CaMn)2Mg5(Si7Al)O22(OH)2
2.713(32.99) 100 8.395(10.53) 80 3.395(26.23) 62 Parvo-manganotremolite [ ](CaMn)2Mg5(Si7Al)O22(OH)2
2.713(32.99) 100 1.699(53.92) 85 2.477(36.24) 80 Karelianite V2O3
2.714(32.98) 100 2.882(31.00) 94 4.550(19.49) 63 Pyrocoproite (Mg(K,Na))2P2O7
2.714(32.98) 100 3.120(28.59) 90 2.502(35.86) 80 Glaucophane [ ]Na2(Mg3Al2)Si8O22(OH)2
2.714(32.98) 100 3.610(24.64) 90 5.430(16.31) 80 Clinobehoite Be(OH)2
2.714(32.98) 100 6.770(13.07) 80 2.674(33.48) 75 Balangeroite (Mg,Fe+++,Fe++,Mn++)42Si16O54(OH)40
2.714(32.98) 100 8.360(10.57) 76 3.100(28.77) 66 Parvowinchite Na(NaMn++)(Mg4Fe+++)Si8O22(OH)2
2.714(32.98) 100 8.400(10.52) 80 2.562(34.99) 70 Potassic-chloropargasite (K,Na)Ca2(Mg,Fe2+)4Al(Si6Al2O22)(Cl,OH)2
2.715(32.96) 100 1.983(45.72) 50 1.859(48.96) 50 Sudovikovite PtSe2
2.715(32.96) 100 3.510(25.35) 80 1.840(49.50) 50 Retzian-(La) (Mn,Mg)2(La,Ce,Nd)(AsO4)(OH)4
2.715(32.96) 100 3.180(28.04) 50 2.160(41.78) 45 Polyakovite-(Ce) (Ce,La,Nd,Pr,Ca)4(Mg,Fe++)(Cr,Fe+++)2(Ti,Nb)2Si4O22
2.715(32.96) 100 2.730(32.78) 50 3.494(25.47) 47 IMA2008-064 Na16Mn++25Al8(PO4)30
2.715(32.96) 100 2.298(39.17) 36 1.683(54.48) 24 Indium In
2.715(32.96) 100 1.859(48.96) 50 1.983(45.72) 50 Sudovikovite PtSe2
2.717(32.94) 100 2.811(31.81) 80 2.261(39.84) 35 Carbonate-hydroxylapatite Ca5(PO4,CO3)3(OH)
2.717(32.94) 100 3.553(25.04) 80 1.848(49.27) 50 Retzian-(Ce) Mn2Ce(AsO4)(OH)4
2.717(32.94) 100 2.757(32.45) 100 4.040(21.98) 80 Soucekite PbCuBi(S,Se)3
2.718(32.93) 100 3.530(25.21) 90 2.497(35.94) 90 Bideauxite Pb2AgCl3(F,OH)2
2.718(32.93) 100 1.955(46.41) 50 1.896(47.94) 50 Verbeekite PdSe2
2.718(32.93) 100 2.848(31.38) 90 2.875(31.08) 85 Manganilvaite CaFe++Fe+++(Mn,Fe++)(Si2O7)O(OH)
2.718(32.93) 100 2.497(35.94) 90 3.530(25.21) 90 Bideauxite Pb2AgCl3(F,OH)2
2.718(32.93) 100 1.896(47.94) 50 1.955(46.41) 50 Verbeekite PdSe2
2.719(32.91) 100 4.110(21.60) 100 1.817(50.17) 80 Gmelinite-K (K,Na,Ca)6(Al7Si17O48)•22(H2O)
2.719(32.91) 100 1.817(50.17) 100 2.852(31.34) 80 Gmelinite-K (K,Na,Ca)6(Al7Si17O48)•22(H2O)
2.720(32.90) 100 2.780(32.17) 100 3.060(29.16) 80 Tundrite-(Ce) Na2Ce2TiO2(SiO4)(CO3)2
2.720(32.90) 100 8.420(10.50) 100 3.090(28.87) 80 Riebeckite [ ]Na2(Fe++3Fe+++2)Si8O22(OH)2
2.720(32.90) 100 3.790(23.45) 90 1.910(47.57) 80 Buchwaldite NaCaPO4
2.720(32.90) 100 8.280(10.68) 90 9.000(9.82) 90 Manganocummingtonite Na(Na,Mn)2(Mg4,Fe+++)5Si8O22(OH)2
2.720(32.90) 100 3.850(23.08) 80 1.749(52.26) 70 Seligmannite PbCuAsS3
2.720(32.90) 100 2.600(34.47) 80 3.720(23.90) 70 Natrophilite NaMnPO4
2.720(32.90) 100 3.180(28.04) 80 4.480(19.80) 70 Rankinite Ca3Si2O7
2.720(32.90) 100 3.039(29.37) 72 1.626(56.55) 56 Morimotoite Ca3TiFe++Si3O12
2.720(32.90) 100 1.120(86.90) 100 5.440(16.28) 100 Arsenolamprite As
2.720(32.90) 100 8.480(10.42) 81 2.610(34.33) 59 Potassic-ferropargasite KCa2(Fe++4Al)Si6Al2O22(OH)2
2.720(32.90) 100 8.900(9.93) 100 3.290(27.08) 90 Kolfanite Ca2Fe+++3O2(AsO4)3•2(H2O)
2.720(32.90) 100 1.657(55.40) 90 1.421(65.65) 80 Bixbyite (Mn+++,Fe+++)2O3
2.720(32.90) 100 1.827(49.87) 90 2.450(36.65) 80 Glaucodot (Co,Fe)AsS
2.720(32.90) 100 1.656(55.44) 70 2.140(42.19) 50 Braunite-I Mn++Mn+++6SiO12
2.720(32.90) 100 9.000(9.82) 90 8.280(10.68) 90 Manganocummingtonite Na(Na,Mn)2(Mg4,Fe+++)5Si8O22(OH)2
2.720(32.90) 100 1.656(55.44) 70 2.140(42.19) 50 Braunite-II Mn++Mn+++6SiO12
2.722(32.88) 100 2.218(40.64) 70 2.527(35.49) 55 Geikielite MgTiO3
2.722(32.88) 100 8.672(10.19) 80 2.187(41.24) 50 IMA2007-010 PbHgAs2S6
2.722(32.88) 100 4.220(21.03) 90 3.141(28.39) 80 Amicite K2Na2Al4Si4O16•5(H2O)
2.722(32.88) 100 3.490(25.50) 80 2.760(32.41) 40 Maoniupingite-(Ce) (REE,Ca)4(Fe+++,Ti,Fe++,[ ])(Ti,Fe+++,Fe++,Nb)4Si4O22

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