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 75 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 7.8498 AND d1 < 8.1702)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
7.850(11.26) 100 3.201(27.85) 80 2.471(36.33) 40 Ivanyukite-K K2[Ti4(OH)2O2(SiO4)3]•9H2O
7.851(11.26) 100 3.297(27.02) 90 2.685(33.34) 80 Munirite NaVO3•(2-x)(H2O)
7.860(11.25) 100 2.560(35.02) 80 1.910(47.57) 70 Cafetite Ca(Fe,Al)2Ti4O12•4(H2O)
7.860(11.25) 100 3.930(22.61) 60 2.890(30.92) 50 Hydrocalumite Ca2Al(OH)6[Cl1-x(OH)x]•3(H2O)
7.870(11.23) 100 2.672(33.51) 60 2.725(32.84) 50 Simonkolleite Zn5(OH)8Cl2•(H2O)
7.870(11.23) 100 3.205(27.81) 80 1.843(49.41) 30 Ivanyukite-Cu Cu[Ti4(OH)2O2(SiO4)3]•7H2O
7.870(11.23) 100 1.843(49.41) 80 1.960(46.28) 30 Ivanyukite-Cu Cu[Ti4(OH)2O2(SiO4)3]•7H2O
7.880(11.22) 100 15.440(5.72) 100 2.714(32.98) 40 Brianyoungite Zn3(CO3,SO4)(OH)4
7.880(11.22) 100 3.940(22.55) 90 2.990(29.86) 80 Uranophane Ca(UO2)2SiO3(OH)2•5(H2O)
7.880(11.22) 100 3.200(27.86) 80 2.478(36.22) 40 Ivanyukite-Na Na2[Ti4O2(OH)2(SiO4)3]•6H2O
7.880(11.22) 100 3.175(28.08) 80 2.607(34.37) 70 IMA2007-041T Na2[Ti4O2(OH)2(SiO4)3]•6H2O
7.880(11.22) 100 2.478(36.22) 80 2.622(34.17) 40 Ivanyukite-Na Na2[Ti4O2(OH)2(SiO4)3]•6H2O
7.890(11.21) 100 3.940(22.55) 50 3.150(28.31) 29 Yingjiangite (K2,Ca)(UO2)7(PO4)4(OH)6•6(H2O)
7.896(11.20) 100 3.500(25.43) 20 5.586(15.85) 15 Paceite CaCu(CH3COO)4•6(H2O)
7.900(11.19) 100 3.120(28.59) 70 3.450(25.80) 35 Barnesite Na2V6O16•3(H2O)
7.900(11.19) 100 5.010(17.69) 70 5.360(16.53) 40 Zugshunstite-(Ce) (Ce,Nd,La)Al(SO4)2(C2O4)•8(H2O)
7.900(11.19) 100 11.900(7.42) 80 3.380(26.35) 80 Kulkeite Na0.35Mg8AlSi7O20(OH)10
7.900(11.19) 100 2.640(33.93) 32 6.200(14.27) 30 Para-alumohydrocalcite CaAl2(CO3)2(OH)4•6(H2O)
7.900(11.19) 100 3.930(22.61) 70 5.010(17.69) 40 Zugshunstite-(Ce) (Ce,Nd,La)Al(SO4)2(C2O4)•8(H2O)
7.900(11.19) 100 3.490(25.50) 80 3.380(26.35) 70 Rabejacite Ca(UO2)4(SO4)2(OH)6•6(H2O)
7.900(11.19) 100 3.380(26.35) 80 11.900(7.42) 80 Kulkeite Na0.35Mg8AlSi7O20(OH)10
7.900(11.19) 100 3.160(28.22) 90 3.830(23.20) 70 Koritnigite ZnHAsO4•(H2O)
7.910(11.18) 100 3.960(22.43) 60 3.150(28.31) 60 Phosphuranylite KCa(H3O)3(UO2)7(PO4)4O4•8(H2O)
7.910(11.18) 100 3.150(28.31) 60 3.960(22.43) 60 Phosphuranylite KCa(H3O)3(UO2)7(PO4)4O4•8(H2O)
7.910(11.18) 100 3.600(24.71) 80 3.090(28.87) 60 Dundasite PbAl2(CO3)2(OH)4•(H2O)
7.920(11.16) 100 8.690(10.17) 80 10.400(8.50) 60 Hohmannite Fe+++2(SO4)2(OH)2•7(H2O)
7.920(11.16) 100 2.095(43.14) 80 2.755(32.47) 80 Stoiberite Cu5V+++++2O10
7.920(11.16) 100 2.755(32.47) 80 2.095(43.14) 80 Stoiberite Cu5V+++++2O10
7.930(11.15) 100 3.960(22.43) 90 2.000(45.30) 70 Brugnatellite Mg6Fe+++(CO3)(OH)13•4(H2O)
7.930(11.15) 100 5.670(15.62) 100 13.000(6.79) 100 Andersonite Na2Ca(UO2)(CO3)3•6(H2O)
7.930(11.15) 100 2.700(33.15) 100 2.990(29.86) 100 Clinoholmquistite [ ](Li2Mg3Al2)Si8O22(OH)2
7.930(11.15) 100 4.390(20.21) 80 3.002(29.74) 70 Strontiodresserite (Sr,Ca)Al2(CO3)2(OH)4•(H2O)
7.930(11.15) 100 2.990(29.86) 100 2.700(33.15) 100 Clinoholmquistite [ ](Li2Mg3Al2)Si8O22(OH)2
7.937(11.14) 100 3.633(24.48) 70 4.686(18.92) 50 Petterdite PbCr+++2(CO3)2(OH)4•H2O
7.940(11.13) 100 3.140(28.40) 70 3.820(23.27) 50 Cobaltkoritnigite (Co,Zn)(AsO3OH)•(H2O)
7.950(11.12) 100 13.700(6.45) 95 2.300(39.13) 95 Buttgenbachite Cu19Cl4(NO3)2(OH)32•2(H2O)
7.950(11.12) 100 2.300(39.13) 95 13.700(6.45) 95 Buttgenbachite Cu19Cl4(NO3)2(OH)32•2(H2O)
7.950(11.12) 100 3.972(22.36) 80 3.271(27.24) 40 Kamitugaite PbAl(UO2)5(PO4)2(OH)9•9.5(H2O)
7.950(11.12) 100 3.110(28.68) 90 2.880(31.03) 80 Renardite Pb(UO2)4(PO4)2(OH)4•7(H2O)
7.960(11.11) 100 2.258(39.89) 64 2.821(31.69) 59 Kovdorskite Mg5(PO4)2(CO3)(OH)2•4.5(H2O)
7.960(11.11) 100 3.862(23.01) 100 3.273(27.22) 100 Krautite MnAs+++++O3(OH)2•(H2O)
7.964(11.10) 100 6.854(12.91) 50 6.132(14.43) 25 Cavansite Ca(VO)Si4O10•4(H2O)
7.970(11.09) 100 2.692(33.25) 34 3.970(22.38) 32 Fougerite (Fe++,Mg)6Fe+++2(OH)18•4(H2O)
7.980(11.08) 100 5.320(16.65) 63 3.190(27.95) 45 Cattiite Mg3(PO4)2•22(H2O)
7.980(11.08) 100 11.160(7.92) 70 4.630(19.15) 50 Wermlandite (Ca,Mg)Mg7(Al,Fe+++)2(SO4)2(OH)18•12(H2O)
7.990(11.06) 100 3.270(27.25) 80 2.831(31.58) 60 Natropharmacosiderite (Na,K)2Fe+++4(AsO4)3(OH)5•7(H2O)
7.990(11.06) 100 4.230(20.98) 70 5.800(15.26) 55 Mellite Al2[C6(COO)6]•16(H2O)
8.000(11.05) 100 2.290(39.31) 100 13.700(6.45) 100 Connellite Cu19Cl4(SO4)(OH)32•3(H2O)
8.010(11.04) 100 5.890(15.03) 100 3.140(28.40) 90 Dewindtite Pb3[H(UO2)3O2(PO4)2]2•12(H2O)
8.010(11.04) 100 3.562(24.98) 49 2.807(31.85) 48 Lemoynite (Na,K)2CaZr2Si10O26•5-6(H2O)
8.010(11.04) 100 2.912(30.68) 80 4.010(22.15) 70 Haynesite (UO2)3(SeO3)2(OH)2•5(H2O)
8.010(11.04) 100 4.060(21.87) 50 3.480(25.58) 40 Searlesite NaBSi2O5(OH)2
8.040(11.00) 100 2.439(36.82) 95 3.843(23.13) 75 Korshunovskite Mg2Cl(OH)3•3.5-4(H2O)
8.040(11.00) 100 3.440(25.88) 100 24.100(3.66) 100 Bornemanite BaNa3{(Na,Ti)4[(Ti,Nb)2O2Si4O14](F,OH)2}•PO4
8.040(11.00) 100 2.007(45.14) 60 4.021(22.09) 48 Woodallite Mg6Cr2(OH)16Cl2•4(H2O)
8.050(10.98) 100 3.090(28.87) 80 3.100(28.77) 80 Phurcalite Ca2(UO2)3O2(PO4)2•7(H2O)
8.050(10.98) 100 3.100(28.77) 80 3.090(28.87) 80 Phurcalite Ca2(UO2)3O2(PO4)2•7(H2O)
8.060(10.97) 100 4.020(22.09) 80 3.488(25.52) 70 Urancalcarite Ca(UO2)3(CO3)(OH)6•3(H2O)
8.062(10.97) 100 3.200(27.86) 44 2.394(37.54) 41 Effenbergerite BaCuSi4O10
8.070(10.95) 100 4.210(21.08) 100 2.680(33.41) 90 Zunyite Al13Si5O20(OH,F)18Cl
8.090(10.93) 100 3.420(26.03) 90 3.180(28.04) 80 Joliotite (UO2)(CO3)•n(H2O), (n=2?)
8.090(10.93) 100 6.230(14.20) 60 3.660(24.30) 50 Dresserite BaAl2(CO3)2(OH)4•(H2O)
8.100(10.91) 100 3.149(28.32) 100 2.696(33.20) 80 Wilkinsonite Na2Fe++4Fe+++2Si6O20
8.100(10.91) 100 4.040(21.98) 40 3.560(24.99) 20 Brianroulstonite Ca3[B5O6(OH)6](OH)Cl2•8(H2O)
8.107(10.90) 100 3.000(29.76) 90 4.427(20.04) 70 Holmquistite [ ](Li2Mg3Al2)Si8O22(OH)2
8.109(10.90) 100 4.047(21.94) 40 2.363(38.05) 27 Iowaite Mg4Fe+++(OH)8OCl•2-4(H2O)
8.110(10.90) 100 3.140(28.40) 100 2.705(33.09) 80 Aenigmatite (Na,Ca)4(Fe++,Ti,Mg)12Si12O40
8.110(10.90) 100 3.000(29.76) 48 4.420(20.07) 26 Ferroholmquistite [ ](Li2Fe++3Al2)Si8O22(OH)2
8.120(10.89) 100 2.863(31.22) 48 3.543(25.11) 39 Bussyite-(Ce) (Ce,REE)3(Na,H2O)6MnSi9Be5(O,OH)30F4
8.135(10.87) 100 5.975(14.81) 40 3.564(24.96) 40 Natrolemoynite Na4Zr2Si10O26•9(H2O)
8.135(10.87) 100 3.564(24.96) 40 5.975(14.81) 40 Natrolemoynite Na4Zr2Si10O26•9(H2O)
8.146(10.85) 100 2.686(33.33) 90 3.008(29.67) 80 IMA2008-070 NaLi2(Fe2Al2Li)(Si6Al2)O22F2
8.150(10.85) 100 3.000(29.76) 80 4.040(21.98) 70 Lepersonnite-(Gd) CaGd2(UO3)24(CO3)8(SiO4)4O4•60(H2O)
8.150(10.85) 100 2.778(32.20) 90 4.070(21.82) 80 Zemannite Mg0.5[Zn++Fe+++(TeO3)3]•4.5(H2O)
8.160(10.83) 100 4.820(18.39) 90 6.060(14.61) 70 Cuprosklodowskite Cu[(UO2)(SiO2OH)]2•6(H2O)

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