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 86 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 7.7616 AND d1 < 8.0784)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
7.770(11.38) 100 2.739(32.67) 60 4.480(19.80) 50 Alumopharmacosiderite KAl4(AsO4)3(OH)4•6•5(H2O)
7.770(11.38) 100 3.890(22.84) 80 2.620(34.20) 50 Pyroaurite Mg6Fe+++2(CO3)(OH)16•4(H2O)
7.779(11.37) 100 4.391(20.21) 80 3.814(23.30) 80 Burnsite KCdCu7O2(SeO3)2Cl9
7.779(11.37) 100 3.814(23.30) 80 4.391(20.21) 80 Burnsite KCdCu7O2(SeO3)2Cl9
7.780(11.36) 100 2.592(34.58) 60 1.530(60.46) 50 Jamborite (Ni++,Ni+++,Fe)(OH)2(OH,S,(H2O))
7.780(11.36) 100 3.110(28.68) 80 4.310(20.59) 70 Rapidcreekite Ca2(SO4)(CO3)•4(H2O)
7.780(11.36) 100 3.490(25.50) 80 8.970(9.85) 70 Bulachite Al2(AsO4)(OH)3•3(H2O)
7.790(11.35) 100 3.880(22.90) 50 5.760(15.37) 50 Francoisite-(Nd) (Nd,Y,Sm,Ce)(UO2)3(PO4)2O(OH)•6(H2O)
7.790(11.35) 100 3.890(22.84) 80 1.860(48.93) 40 Sjogrenite Mg6Fe+++2(CO3)(OH)16•4(H2O)
7.790(11.35) 100 5.760(15.37) 50 3.880(22.90) 50 Francoisite-(Nd) (Nd,Y,Sm,Ce)(UO2)3(PO4)2O(OH)•6(H2O)
7.800(11.33) 100 3.160(28.22) 80 3.870(22.96) 70 Barium-alumopharmacosiderite BaAl4(AsO4)3(OH)5•5(H2O)
7.800(11.33) 100 3.910(22.72) 90 2.600(34.47) 40 Stichtite Mg6Cr2(CO3)(OH)16•4(H2O)
7.800(11.33) 100 3.870(22.96) 80 3.150(28.31) 70 Triangulite Al3(UO2)4(PO4)4(OH)5•5(H2O)
7.800(11.33) 100 3.370(26.43) 70 3.870(22.96) 60 Mundite Al(UO2)3(PO4)2(OH)3•5(H2O)
7.800(11.33) 100 2.730(32.78) 80 3.160(28.22) 70 Barium-alumopharmacosiderite BaAl4(AsO4)3(OH)5•5(H2O)
7.800(11.33) 100 2.910(30.70) 80 4.380(20.26) 60 Ferrinatrite Na3Fe+++(SO4)3•3(H2O)
7.805(11.33) 100 3.031(29.44) 70 3.903(22.76) 30 Ansermetite MnV2O6•4(H2O)
7.805(11.33) 100 3.903(22.76) 70 4.500(19.71) 30 Ansermetite MnV2O6•4(H2O)
7.810(11.32) 100 2.490(36.04) 90 3.570(24.92) 60 Apophyllite-(KF) (K,Na)Ca4Si8O20(F,OH)•8(H2O)
7.820(11.31)
-
4.560(19.45)
-
3.940(22.55)
-
Kokchetavite KAlSi3O8
7.824(11.30) 100 7.736(11.43) 100 2.754(32.48) 60 Barium-zinc-alumopharmacosiderite (Ba,K)0.5(Zn,Cu)0.5(Al,Fe)4(AsO4)3•5(H2O)
7.830(11.29) 100 8.890(9.94) 100 1.481(62.68) 80 Ankinovichite (Ni,Zn)Al4(VO3)2(OH)12(H2O)2.5
7.830(11.29) 100 3.070(29.06) 70 3.260(27.33) 70 Geminite Cu++2As+++++2O7•3(H2O)
7.830(11.29) 100 3.260(27.33) 70 3.070(29.06) 70 Geminite Cu++2As+++++2O7•3(H2O)
7.830(11.29) 100 3.900(22.78) 90 3.510(25.35) 60 Uranophane-beta Ca[(UO2)SiO3(OH)]2•(H2O)
7.840(11.28) 100 6.020(14.70) 100 3.250(27.42) 80 Sitinakite Na2K(Ti,Nb)4O4(SiO4)2(O,OH)•4(H2O)
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 3.930(22.61) 60 2.890(30.92) 50 Hydrocalumite Ca2Al(OH)6[Cl1-x(OH)x]•3(H2O)
7.860(11.25) 100 2.560(35.02) 80 1.910(47.57) 70 Cafetite Ca(Fe,Al)2Ti4O12•4(H2O)
7.870(11.23) 100 1.843(49.41) 80 1.960(46.28) 30 Ivanyukite-Cu Cu[Ti4(OH)2O2(SiO4)3]•7H2O
7.870(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
7.880(11.22) 100 15.440(5.72) 100 2.714(32.98) 40 Brianyoungite Zn3(CO3,SO4)(OH)4
7.880(11.22) 100 2.478(36.22) 80 2.622(34.17) 40 Ivanyukite-Na Na2[Ti4O2(OH)2(SiO4)3]•6H2O
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
7.890(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 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)
7.900(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)
7.910(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)
7.910(11.18) 100 3.960(22.43) 60 3.150(28.31) 60 Phosphuranylite KCa(H3O)3(UO2)7(PO4)4O4•8(H2O)
7.920(11.16) 100 2.095(43.14) 80 2.755(32.47) 80 Stoiberite Cu5V+++++2O10
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 2.755(32.47) 80 2.095(43.14) 80 Stoiberite Cu5V+++++2O10
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 3.960(22.43) 90 2.000(45.30) 70 Brugnatellite Mg6Fe+++(CO3)(OH)13•4(H2O)
7.930(11.15) 100 2.990(29.86) 100 2.700(33.15) 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 2.700(33.15) 100 2.990(29.86) 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 3.862(23.01) 100 3.273(27.22) 100 Krautite MnAs+++++O3(OH)2•(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)
7.964(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 4.230(20.98) 70 5.800(15.26) 55 Mellite Al2[C6(COO)6]•16(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)
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 2.912(30.68) 80 4.010(22.15) 70 Haynesite (UO2)3(SeO3)2(OH)2•5(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 4.060(21.87) 50 3.480(25.58) 40 Searlesite NaBSi2O5(OH)2
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)
8.040(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 2.439(36.82) 95 3.843(23.13) 75 Korshunovskite Mg2Cl(OH)3•3.5-4(H2O)
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 3.100(28.77) 80 3.090(28.87) 80 Phurcalite Ca2(UO2)3O2(PO4)2•7(H2O)
8.050(10.98) 100 3.090(28.87) 80 3.100(28.77) 80 Phurcalite Ca2(UO2)3O2(PO4)2•7(H2O)
8.060(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

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