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 380 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.71264 AND d1 < 2.82336)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
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 8.400(10.52) 80 2.562(34.99) 70 Potassic-chloropargasite (K,Na)Ca2(Mg,Fe2+)4Al(Si6Al2O22)(Cl,OH)2
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 6.770(13.07) 80 2.674(33.48) 75 Balangeroite (Mg,Fe+++,Fe++,Mn++)42Si16O54(OH)40
2.714(32.98) 100 3.610(24.64) 90 5.430(16.31) 80 Clinobehoite Be(OH)2
2.714(32.98) 100 3.120(28.59) 90 2.502(35.86) 80 Glaucophane [ ]Na2(Mg3Al2)Si8O22(OH)2
2.715(32.96) 100 2.298(39.17) 36 1.683(54.48) 24 Indium In
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 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 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 1.983(45.72) 50 1.859(48.96) 50 Sudovikovite PtSe2
2.715(32.96) 100 1.859(48.96) 50 1.983(45.72) 50 Sudovikovite PtSe2
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
2.717(32.94) 100 2.811(31.81) 80 2.261(39.84) 35 Carbonate-hydroxylapatite Ca5(PO4,CO3)3(OH)
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 1.896(47.94) 50 1.955(46.41) 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
2.719(32.91) 100 1.817(50.17) 100 2.852(31.34) 80 Gmelinite-K (K,Na,Ca)6(Al7Si17O48)•22(H2O)
2.719(32.91) 100 4.110(21.60) 100 1.817(50.17) 80 Gmelinite-K (K,Na,Ca)6(Al7Si17O48)•22(H2O)
2.720(32.90) 100 1.120(86.90) 100 5.440(16.28) 100 Arsenolamprite As
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 8.900(9.93) 100 3.290(27.08) 90 Kolfanite Ca2Fe+++3O2(AsO4)3•2(H2O)
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 8.420(10.50) 100 3.090(28.87) 80 Riebeckite [ ]Na2(Fe++3Fe+++2)Si8O22(OH)2
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 1.656(55.44) 70 2.140(42.19) 50 Braunite-II Mn++Mn+++6SiO12
2.720(32.90) 100 1.827(49.87) 90 2.450(36.65) 80 Glaucodot (Co,Fe)AsS
2.720(32.90) 100 2.600(34.47) 80 3.720(23.90) 70 Natrophilite NaMnPO4
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 3.039(29.37) 72 1.626(56.55) 56 Morimotoite Ca3TiFe++Si3O12
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 1.657(55.40) 90 1.421(65.65) 80 Bixbyite (Mn+++,Fe+++)2O3
2.720(32.90) 100 3.790(23.45) 90 1.910(47.57) 80 Buchwaldite NaCaPO4
2.720(32.90) 100 3.180(28.04) 80 4.480(19.80) 70 Rankinite Ca3Si2O7
2.722(32.88) 100 2.760(32.41) 80 2.874(31.09) 40 Maoniupingite-(Ce) (REE,Ca)4(Fe+++,Ti,Fe++,[ ])(Ti,Fe+++,Fe++,Nb)4Si4O22
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 2.187(41.24) 80 3.395(26.23) 50 IMA2007-010 PbHgAs2S6
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
2.722(32.88) 100 2.218(40.64) 70 2.527(35.49) 55 Geikielite MgTiO3
2.723(32.86) 100 2.992(29.84) 90 3.110(28.68) 80 Prosperite CaZn2(AsO4)2•(H2O)
2.723(32.86) 100 2.779(32.18) 40 1.664(55.15) 40 Stavelotite-(La) La3Mn++3Cu++(Mn+++,Fe+++,Mn++++)26(Si2O7)6O30
2.723(32.86) 100 1.664(55.15) 40 2.779(32.18) 40 Stavelotite-(La) La3Mn++3Cu++(Mn+++,Fe+++,Mn++++)26(Si2O7)6O30
2.724(32.85) 100 2.031(44.58) 57 2.550(35.16) 50 Clinophosinaite Na3CaPSiO7
2.724(32.85) 100 2.639(33.94) 57 2.031(44.58) 50 Clinophosinaite Na3CaPSiO7
2.725(32.84) 100 3.050(29.26) 80 2.061(43.89) 75 Congolite (Fe++,Mg,Mn)3B7O13Cl
2.725(32.84) 100 2.916(30.63) 90 2.999(29.77) 80 Marsturite NaCaMn3[Si5O14(OH)]
2.726(32.83) 100 3.534(25.18) 60 4.890(18.13) 30 Retzian-(Nd) Mn2(Nd,Ce,La)(AsO4)(OH)4
2.726(32.83) 100 5.472(16.18) 32 3.455(25.76) 17 Hejtmanite Ba(Mn,Fe++)2TiO(Si2O7)(OH,F)2
2.727(32.81) 100 3.448(25.82) 87 3.896(22.81) 66 Cesanite Na7Ca3(SO4)6(OH)•0.8(H2O)
2.728(32.80) 100 1.672(54.86) 85 1.427(65.34) 60 Neltnerite CaMn+++6SiO12
2.729(32.79) 100 2.916(30.63) 100 3.420(26.03) 55 Parwelite (Mn,Mg)5Sb(As,Si)2O12
2.729(32.79) 100 2.007(45.14) 45 1.510(61.34) 35 Kitkaite NiTeSe
2.730(32.78) 100 2.663(33.63) 100 2.259(39.87) 80 Bredigite Ca7Mg(SiO4)4
2.730(32.78) 100 3.991(22.26) 70 2.223(40.55) 70 Brodtkorbite Cu2HgSe2
2.730(32.78) 100 3.280(27.16) 100 2.840(31.47) 100 Semenovite (Na,Ca)9(Ce,La)2(Fe++,Mn)(Si,Be)20(O,OH,F)48
2.730(32.78) 100 1.840(49.50) 60 3.520(25.28) 40 Stornesite-(Y) (Y, Ca)[ ]2Na6(Ca,Na)8(Mg,Fe)43(PO4)36
2.730(32.78) 100 3.580(24.85) 100 3.300(27.00) 100 Vaterite CaCO3
2.730(32.78) 100 6.300(14.05) 80 3.070(29.06) 65 Alluaudite NaCaFe++(Mn,Fe++,Fe+++,Mg)2(PO4)3
2.730(32.78) 100 2.223(40.55) 70 3.991(22.26) 70 Brodtkorbite Cu2HgSe2
2.730(32.78) 100 2.530(35.45) 90 1.710(53.55) 70 Ecandrewsite (Zn,Fe++,Mn++)TiO3
2.730(32.78) 100 2.840(31.47) 100 3.280(27.16) 100 Semenovite (Na,Ca)9(Ce,La)2(Fe++,Mn)(Si,Be)20(O,OH,F)48
2.730(32.78) 100 2.880(31.03) 90 2.590(34.60) 70 Cebollite Ca5Al2(SiO4)3(OH)4
2.730(32.78) 100 2.940(30.38) 60 1.840(49.50) 40 Stornesite-(Y) (Y, Ca)[ ]2Na6(Ca,Na)8(Mg,Fe)43(PO4)36
2.730(32.78) 100 3.300(27.00) 100 3.580(24.85) 100 Vaterite CaCO3
2.732(32.75) 100 2.914(30.66) 100 5.523(16.03) 80 Melanotekite Pb2Fe+++2Si2O9
2.733(32.74) 100 2.783(32.14) 100 2.764(32.36) 100 Rheniite ReS2
2.733(32.74) 100 2.764(32.36) 100 2.783(32.14) 100 Rheniite ReS2
2.735(32.72) 100 2.895(30.86) 80 3.000(29.76) 80 Tassieite (Na,[ ])Ca2(Mg,Fe++,Fe+++)2(Fe+++,Mg)2(Fe++,Mg)2(PO4)6(H2O)2
2.735(32.72) 100 2.772(32.27) 100 2.324(38.71) 30 Tillmannsite (Ag3Hg)(V,As)O4
2.735(32.72) 100 3.000(29.76) 80 2.895(30.86) 80 Tassieite (Na,[ ])Ca2(Mg,Fe++,Fe+++)2(Fe+++,Mg)2(Fe++,Mg)2(PO4)6(H2O)2
2.736(32.70) 100 5.340(16.59) 65 3.690(24.10) 50 Artinite Mg2(CO3)(OH)2•3(H2O)
2.737(32.69) 100 2.874(31.09) 70 4.075(21.79) 50 Schreyerite V+++2Ti3O9
2.740(32.65) 100 2.437(36.85) 55 2.194(41.11) 55 Kraisslite (Mn++,Mg)24Zn3Fe+++(As+++O3)2(As+++++O4)3(SiO4)6(OH)18
2.740(32.65) 100 3.870(22.96) 25 1.582(58.27) 25 Salammoniac NH4Cl
2.740(32.65) 100 2.480(36.19) 90 3.270(27.25) 80 Proustite Ag3AsS3
2.740(32.65) 100 2.900(30.81) 100 2.860(31.25) 100 Kentrolite Pb2Mn+++2Si2O9
2.740(32.65) 100 3.400(26.19) 40 2.560(35.02) 40 Varulite NaCaMn(Mn,Fe++,Fe+++)2(PO4)3
2.740(32.65) 100 3.780(23.52) 70 3.050(29.26) 60 Hutchinsonite (Pb,Tl)2As5S9
2.740(32.65) 100 2.860(31.25) 100 2.900(30.81) 100 Kentrolite Pb2Mn+++2Si2O9
2.740(32.65) 100 2.860(31.25) 80 1.680(54.58) 70 Mosesite Hg2N(Cl,SO4,MoO4,CO3)•(H2O)
2.740(32.65) 100 2.770(32.29) 100 1.870(48.65) 90 Ruarsite RuAsS
2.740(32.65) 100 2.194(41.11) 55 2.437(36.85) 55 Kraisslite (Mn++,Mg)24Zn3Fe+++(As+++O3)2(As+++++O4)3(SiO4)6(OH)18
2.740(32.65) 100 2.560(35.02) 40 3.400(26.19) 40 Varulite NaCaMn(Mn,Fe++,Fe+++)2(PO4)3
2.740(32.65) 100 1.768(51.66) 50 2.685(33.34) 45 Bournonite PbCuSbS3
2.740(32.65) 100 1.582(58.27) 25 3.870(22.96) 25 Salammoniac NH4Cl
2.740(32.65) 100 7.440(11.89) 55 2.566(34.94) 53 Phosinaite-(Ce) Na13Ca2Ce[Si4O12](PO4)4
2.741(32.64) 100 1.692(54.16) 45 3.543(25.11) 36 Gaspeite (Ni,Mg,Fe++)CO3
2.742(32.63) 100 2.102(42.99) 45 1.700(53.89) 35 Magnesite MgCO3
2.742(32.63) 100 1.956(46.38) 100 2.688(33.30) 80 Chrisstanleyite Ag2Pd3Se4
2.743(32.62) 100 1.614(57.01) 56 2.757(32.45) 55 Holtstamite Ca3(Al,Mn+++)2(SiO4)2(OH)4
2.743(32.62) 100 3.551(25.06) 40 1.702(53.82) 30 Sphaerocobaltite CoCO3
2.743(32.62) 100 3.212(27.75) 70 3.722(23.89) 40 Yecoraite Bi5Fe+++3(Te++++O3)(Te++++++O4)2O9•9(H2O)

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