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 626 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.93902 AND d1 < 3.05898)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.940(30.38) 100 1.710(53.55) 90 2.240(40.23) 80 Uvanite U++++++2V+++++6O21•15(H2O)
2.940(30.38) 100 3.370(26.43) 50 1.472(63.11) 50 Crerarite (Pt,Pb)Bi3(S,Se)4-x (x~0.7)
2.940(30.38) 100 4.430(20.03) 90 2.890(30.92) 80 Orthojoaquinite-(Ce) NaFe++Ba2Ce2Ti2[Si4O12]2 O2(OH)•(H2O)
2.940(30.38) 100 5.920(14.95) 60 4.440(19.98) 40 Paranatrolite Na2[Al2Si3O10]•3(H2O)
2.940(30.38) 100 6.600(13.40) 80 4.670(18.99) 70 Mountainite (Ca,Na2,K2)2Si4O10•3(H2O)
2.940(30.38) 100 4.670(18.99) 80 13.100(6.74) 70 Mountainite (Ca,Na2,K2)2Si4O10•3(H2O)
2.940(30.38) 100 1.813(50.28) 100 1.548(59.68) 100 Lewisite (Ca,Fe++,Na)2(Sb,Ti)2O7
2.940(30.38) 100 1.472(63.11) 50 3.370(26.43) 50 Crerarite (Pt,Pb)Bi3(S,Se)4-x (x~0.7)
2.940(30.38) 100 2.009(45.09) 50 1.831(49.76) 50 IMA2008-009 Sr5(PO4)3F
2.940(30.38) 100 2.880(31.03) 100 3.450(25.80) 90 Potosiite Pb6Sn2FeSb2S14
2.940(30.38) 100 3.290(27.08) 100 1.650(55.66) 80 Bazzite Be3(Sc,Al)2Si6O18
2.940(30.38) 100 3.107(28.71) 90 3.221(27.67) 70 Triploidite (Mn,Fe++)2(PO4)(OH)
2.940(30.38) 100 3.060(29.16) 80 1.890(48.10) 60 Rosenbuschite (Ca,Na)3(Zr,Ti)Si2O8F
2.940(30.38) 100 1.801(50.64) 80 1.535(60.24) 50 Tennantite (Cu,Fe)12As4S13
2.940(30.38) 100 1.814(50.25) 30 1.837(49.58) 25 Kutnohorite Ca(Mn,Mg,Fe++)(CO3)2
2.940(30.38) 100 1.831(49.76) 50 2.009(45.09) 50 IMA2008-009 Sr5(PO4)3F
2.940(30.38) 100 1.890(48.10) 94 2.190(41.19) 86 Woodhouseite CaAl3(PO4)(SO4)(OH)6
2.940(30.38) 100 1.970(46.03) 56 5.040(17.58) 53 Paratooite-(La) REE3(Ca,Sr)2NaCu(CO3)8
2.940(30.38) 100 1.983(45.72) 90 2.680(33.41) 80 Testibiopalladite PdTe(Sb,Te)
2.940(30.38) 100 2.478(36.22) 48 2.863(31.22) 45 Kushiroite CaAl2SiO6
2.940(30.38) 100 3.000(29.76) 100 1.581(58.31) 70 Tantalaeschynite-(Y) (Y,Ce,Ca)(Ta,Ti,Nb)2O6
2.940(30.38) 100 3.000(29.76) 90 3.100(28.77) 80 Roeblingite Pb2Ca6(Si6O18)(SO4)2(OH)2•4(H2O)
2.940(30.38) 100 1.804(50.55) 100 1.539(60.07) 100 Tazheranite CaTiZr2O8
2.941(30.37) 100 3.185(27.99) 100 3.824(23.24) 94 Mazzite-Mg K2CaMg2(Al,Si)36O72•28(H2O)
2.941(30.37) 100 4.750(18.67) 45 3.752(23.69) 35 Ferberite Fe++WO4
2.942(30.36) 100 4.054(21.91) 60 2.139(42.21) 35 Phosphohedyphane Ca2Pb3(PO4)3Cl
2.943(30.35) 100 4.480(19.80) 90 3.445(25.84) 90 Stillwellite-(Ce) (Ce,La,Ca)BSiO5
2.943(30.35) 100 3.445(25.84) 90 4.480(19.80) 90 Stillwellite-(Ce) (Ce,La,Ca)BSiO5
2.943(30.35) 100 1.805(50.52) 70 3.074(29.02) 60 Putzite (Cu4.7Ag3.3)GeS6
2.944(30.34) 100 3.922(22.65) 85 2.813(31.78) 30 Plumboferrite Pb2Fe+++(11-x)Mn++xO19-2x (x=1/3)
2.944(30.34) 100 2.857(31.28) 100 4.625(19.17) 100 Thomsonite-Ca NaCa2Al5Si5O20•6(H2O)
2.945(30.32) 100 1.801(50.64) 100 1.537(60.15) 90 Calzirtite CaZr3TiO9
2.945(30.32) 100 5.710(15.51) 95 3.503(25.41) 40 Zairite Bi(Fe+++,Al)3(PO4)2(OH)6
2.946(30.31) 100 3.180(28.04) 82 2.241(40.21) 74 Jadarite LiNaB3SiO7(OH)
2.946(30.31) 100 3.134(28.46) 89 3.109(28.69) 69 Tanohataite LiMn2Si3O8(OH)
2.946(30.31) 100 3.011(29.64) 100 2.814(31.77) 90 Sahlinite Pb14(AsO4)2O9Cl4
2.946(30.31) 100 2.241(40.21) 82 3.152(28.29) 74 Jadarite LiNaB3SiO7(OH)
2.947(30.30) 100 2.550(35.16) 70 2.691(33.27) 65 Rhonite Ca2(Mg,Fe++,Fe+++,Ti)6(Si,Al)6O20
2.948(30.29) 100 2.899(30.82) 81 2.503(35.85) 66 Gartrellite Pb(Cu,Fe++)2(AsO4,SO4)2(CO3,H2O)0.7
2.949(30.28) 100 2.680(33.41) 85 2.604(34.41) 80 Kirschsteinite CaFe++SiO4
2.949(30.28) 100 2.734(32.73) 80 2.830(31.59) 80 Freedite Pb8Cu+(As+++O3)2O3Cl5
2.949(30.28) 100 3.831(23.20) 90 2.572(34.85) 76 Julgoldite-(Fe++) Ca2Fe++(Fe+++,Al)2(SiO4)(Si2O7)(OH)2•(H2O)
2.949(30.28) 100 2.830(31.59) 80 2.734(32.73) 80 Freedite Pb8Cu+(As+++O3)2O3Cl5
2.950(30.27) 100 2.620(34.20) 100 2.460(36.49) 100 Gaudefroyite Ca4Mn+++3-x(BO3)3(CO3)(O,OH)3
2.950(30.27) 100 2.860(31.25) 100 1.764(51.78) 80 Nordite-(La) (Na,Mn)3(Sr,Ca)(La,Ce)(Zn,Mg)Si6O17
2.950(30.27) 100 6.000(14.75) 80 1.827(49.87) 80 Romeite (Ca,Fe++,Mn,Na)2(Sb,Ti)2O6(O,OH,F)
2.950(30.27) 100 2.070(43.69) 80 1.943(46.71) 80 Hydroxylbastnasite-(La) La(CO3)(OH)
2.950(30.27) 100 2.140(42.19) 100 1.620(56.78) 100 Bismutite Bi2(CO3)O2
2.950(30.27) 100 5.710(15.51) 70 3.500(25.43) 70 Florencite-(Ce) CeAl3(PO4)2(OH)6
2.950(30.27) 100 2.570(34.88) 80 4.800(18.47) 70 Julgoldite-(Fe+++) Ca2Fe+++(Fe+++,Al)2(SiO4)(Si2O7)(O,OH)2•(H2O)
2.950(30.27) 100 1.550(59.60) 90 1.810(50.37) 90 Yttrotantalite-(Y) (Y,U,Fe++)(Ta,Nb)O4
2.950(30.27) 100 1.818(50.14) 100 1.552(59.51) 100 Uranmicrolite (U,Ca)2(Ta,Nb)2O6(OH)
2.950(30.27) 100 2.520(35.60) 100 1.610(57.17) 100 Maghemite gamma-Fe+++2O3
2.950(30.27) 100 2.070(43.69) 80 3.650(24.37) 80 Hydroxylbastnasite-(La) La(CO3)(OH)
2.950(30.27) 100 3.680(24.16) 60 2.640(33.93) 60 Wegscheiderite Na5(CO3)(HCO3)3
2.950(30.27) 100 1.810(50.37) 90 1.550(59.60) 90 Yttrotantalite-(Y) (Y,U,Fe++)(Ta,Nb)O4
2.950(30.27) 100 3.920(22.66) 90 2.130(42.40) 80 Dimorphite As4S3
2.950(30.27) 100 3.840(23.14) 80 2.570(34.88) 70 Julgoldite-(Fe+++) Ca2Fe+++(Fe+++,Al)2(SiO4)(Si2O7)(O,OH)2•(H2O)
2.950(30.27) 100 3.780(23.52) 80 2.460(36.49) 35 Otavite CdCO3
2.950(30.27) 100 3.650(24.37) 50 2.510(35.74) 30 Ashanite (Nb,Ta,U,Fe,Mn)4O8
2.950(30.27) 100 3.510(25.35) 60 5.650(15.67) 55 Arsenoflorencite-(La) (La,Sr)Al3(AsO4,SO4,PO4)2(OH)6
2.950(30.27) 100 3.510(25.35) 60 5.650(15.67) 55 Arsenoflorencite-(Nd) (Nd,La,Ce,Ba)(Al,Fe+++)3(AsO4,PO4)2(OH)6
2.950(30.27) 100 3.510(25.35) 60 5.700(15.53) 55 Eylettersite (Th,Pb)1-xAl3(PO4,SiO4)2(OH)6 (?)
2.950(30.27) 100 3.500(25.43) 70 5.710(15.51) 70 Florencite-(Ce) CeAl3(PO4)2(OH)6
2.950(30.27) 100 3.410(26.11) 50 4.200(21.14) 40 Otjisumeite PbGe4O9
2.950(30.27) 100 3.020(29.55) 100 3.090(28.87) 25 Yttropyrochlore-(Y) (Y,Na,Ca,U)1-2(Nb,Ta,Ti)2(O,OH)7
2.950(30.27) 100 2.870(31.14) 60 3.300(27.00) 40 Burpalite Na2CaZrSi2O7F2
2.950(30.27) 100 2.642(33.90) 90 3.159(28.23) 70 Duhamelite Pb2Cu4Bi(VO4)4(OH)3•8(H2O)
2.950(30.27) 100 2.640(33.93) 60 3.680(24.16) 60 Wegscheiderite Na5(CO3)(HCO3)3
2.950(30.27) 100 2.180(41.38) 70 3.120(28.59) 60 Pyroxmangite (Mn,Fe++)SiO3
2.950(30.27) 100 1.943(46.71) 80 2.070(43.69) 80 Hydroxylbastnasite-(La) La(CO3)(OH)
2.950(30.27) 100 1.827(49.87) 80 6.000(14.75) 80 Romeite (Ca,Fe++,Mn,Na)2(Sb,Ti)2O6(O,OH,F)
2.950(30.27) 100 4.480(19.80) 100 5.500(16.10) 60 Starkeyite MgSO4•4(H2O)
2.950(30.27) 100 5.910(14.98) 90 1.810(50.37) 80 Partzite Cu2Sb2(O,OH)7 (?)
2.950(30.27) 100 1.954(46.43) 50 3.470(25.65) 42 Cerite-(Ce) Ce+++9Fe+++(SiO4)6[(SiO3)(OH)](OH)3
2.951(30.26) 100 2.799(31.95) 52 1.835(49.64) 46 Cupropolybasite [Cu6Sb2S7][Ag9CuS4]
2.952(30.25) 100 2.622(34.17) 68 4.506(19.69) 65 Yedlinite Pb6CrCl6(O,OH)8
2.952(30.25) 100 2.448(36.68) 100 4.370(20.30) 70 Purpurite Mn+++PO4
2.953(30.24) 100 3.360(26.51) 25 4.960(17.87) 25 Foshagite Ca4Si3O9(OH)2
2.953(30.24) 100 4.960(17.87) 25 3.360(26.51) 25 Foshagite Ca4Si3O9(OH)2
2.955(30.22) 100 1.723(53.11) 90 1.535(60.24) 90 Columbite-(Mg) (Mg,Fe++,Mn)(Nb,Ta)2O6
2.955(30.22) 100 4.360(20.35) 92 3.705(24.00) 90 Ancylite-(La) Sr(La,Ce)(CO3)2(OH)•(H2O)
2.955(30.22) 100 1.535(60.24) 90 1.723(53.11) 90 Columbite-(Mg) (Mg,Fe++,Mn)(Nb,Ta)2O6
2.956(30.21) 100 2.756(32.46) 94 2.756(32.46) 87 Manganvesuvianite Ca19Mn+++(Al,Mn+++,Fe+++)10(Mg,Mn++)2Si18O69(OH)9
2.957(30.20) 100 2.990(29.86) 80 2.065(43.80) 70 Pyromorphite Pb5(PO4)3Cl
2.957(30.20) 100 1.627(56.52) 60 2.752(32.51) 60 Asisite Pb12(SiO4)O8Cl4
2.957(30.20) 100 2.752(32.51) 60 1.627(56.52) 60 Asisite Pb12(SiO4)O8Cl4
2.958(30.19) 100 2.812(31.80) 100 3.006(29.70) 100 Kombatite Pb14(VO4)2O9Cl4
2.958(30.19) 100 2.870(31.14) 65 2.511(35.73) 40 Kosmochlor NaCr+++Si2O6
2.958(30.19) 100 4.850(18.28) 90 4.910(18.05) 84 Meridianiite MgSO4•11H2O
2.958(30.19) 100 3.470(25.65) 40 3.310(26.91) 38 Cerite-(La) (La,Ce,Ca)9(Mg,Fe+++)(SiO4)6[SiO3(OH)](OH)3
2.959(30.18) 100 1.530(60.46) 50 1.981(45.76) 35 Stishovite SiO2
2.959(30.18) 100 5.010(17.69) 70 4.330(20.49) 40 Ferrisicklerite Li(Fe+++,Mn++)PO4
2.959(30.18) 100 4.901(18.09) 92 2.975(30.01) 47 Minamiite (Na,Ca,K)Al3(SO4)2(OH)6
2.959(30.18) 100 2.086(43.34) 50 2.101(43.02) 50 Jonassonite Au(Bi,Pb)5S4
2.959(30.18) 100 1.903(47.75) 90 3.514(25.32) 90 Kemmlitzite (Sr,Ce)Al3(AsO4)(SO4)(OH)6
2.959(30.18) 100 3.178(28.05) 90 1.837(49.58) 90 Lapieite CuNiSbS3
2.959(30.18) 100 3.514(25.32) 90 1.903(47.75) 90 Kemmlitzite (Sr,Ce)Al3(AsO4)(SO4)(OH)6
2.959(30.18) 100 2.101(43.02) 50 2.086(43.34) 50 Jonassonite Au(Bi,Pb)5S4
2.959(30.18) 100 1.837(49.58) 90 3.178(28.05) 90 Lapieite CuNiSbS3

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