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 100 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 4.17186 AND d1 < 4.34214)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
4.180(21.24) 100 2.350(38.27) 90 1.434(64.98) 50 Auroantimonate AuSbO3
4.180(21.24) 100 2.690(33.28) 30 2.452(36.62) 25 Goethite Fe+++O(OH)
4.180(21.24) 100 3.740(23.77) 90 2.250(40.04) 80 Evenkite (CH3)2(CH2)22
4.185(21.21) 100 3.196(27.89) 80 4.520(19.62) 70 Asselbornite (Pb,Ba)(UO2)6(BiO)4(AsO4)2(OH)12•3(H2O)
4.187(21.20) 100 12.510(7.06) 70 6.275(14.10) 65 Vertumnite Ca8Al4(Al4Si5)O12[(OH)36•10(H2O)
4.190(21.19) 100 3.177(28.06) 90 3.474(25.62) 80 Tienshanite BaNa2MnTiB2Si6O20
4.195(21.16) 100 3.070(29.06) 100 3.052(29.24) 100 Anthoinite AlWO3(OH)3
4.200(21.14) 100 4.130(21.50) 55 3.790(23.45) 55 Mohrite (NH4)2Fe++(SO4)2•6(H2O)
4.200(21.14) 100 2.810(31.82) 70 2.670(33.54) 70 Groutite Mn+++O(OH)
4.200(21.14) 100 2.720(32.90) 90 2.510(35.74) 90 Swedenborgite NaBe4SbO7
4.200(21.14) 100 12.690(6.96) 100 2.874(31.09) 70 Stratlingite Ca2Al[(OH)6AlSiO2-3(OH)4-3]•2,5(H2O)
4.200(21.14) 100 5.300(16.71) 60 2.850(31.36) 25 Morenosite NiSO4•7(H2O)
4.200(21.14) 100 4.980(17.80) 90 4.690(18.91) 80 Stanleyite (V++++O)SO4•6(H2O)
4.200(21.14) 100 2.510(35.74) 90 2.720(32.90) 90 Swedenborgite NaBe4SbO7
4.200(21.14) 100 2.670(33.54) 70 2.810(31.82) 70 Groutite Mn+++O(OH)
4.200(21.14) 100 3.257(27.36) 90 2.752(32.51) 85 Eulytite Bi4(SiO4)3
4.200(21.14) 100 3.790(23.45) 55 4.130(21.50) 55 Mohrite (NH4)2Fe++(SO4)2•6(H2O)
4.200(21.14) 100 3.580(24.85) 100 3.080(28.97) 100 Dalyite K2ZrSi6O15
4.201(21.13) 100 16.787(5.26) 100 8.394(10.53) 80 Tlalocite Cu10Zn6(Te++++O3)(Te++++++O4)2Cl(OH)25•27(H2O)
4.203(21.12) 100 3.777(23.53) 60 2.483(36.15) 30 Parajamesonite Pb4FeSb6S14
4.204(21.12) 100 3.313(26.89) 60 2.749(32.54) 40 Vaughanite TlHgSb4S7
4.210(21.08) 100 3.510(25.35) 100 4.850(18.28) 50 Bilinite Fe++Fe+++2(SO4)4•22(H2O)
4.210(21.08) 100 5.350(16.56) 25 2.677(33.45) 25 Epsomite MgSO4•7(H2O)
4.210(21.08) 100 7.500(11.79) 90 3.020(29.55) 90 Churchite-(Y) YPO4•2(H2O)
4.210(21.08) 100 2.010(45.07) 100 3.330(26.75) 60 Carbonatecyanotrichite Cu++4Al2(CO3,SO4)(OH)12•2(H2O)
4.210(21.08) 100 10.100(8.75) 100 2.010(45.07) 60 Carbonatecyanotrichite Cu++4Al2(CO3,SO4)(OH)12•2(H2O)
4.210(21.08) 100 8.070(10.95) 100 2.680(33.41) 90 Zunyite Al13Si5O20(OH,F)18Cl
4.210(21.08) 100 5.360(16.53) 80 4.180(21.24) 50 Goslarite ZnSO4•7(H2O)
4.210(21.08) 100 3.020(29.55) 90 7.500(11.79) 90 Churchite-(Y) YPO4•2(H2O)
4.210(21.08) 100 2.873(31.10) 99 2.964(30.13) 88 Ferronordite-(La) Na3Sr(La,Ce)FeSi6O17
4.210(21.08) 100 2.677(33.45) 25 5.350(16.56) 25 Epsomite MgSO4•7(H2O)
4.210(21.08) 100 2.241(40.21) 100 1.726(53.01) 75 Gatumbaite CaAl2(PO4)2(OH)2•(H2O)
4.215(21.06) 100 2.965(30.12) 83 3.326(26.78) 67 Manganonordite-(Ce) Na3SrCeMn++Si6O17
4.216(21.05) 100 2.964(30.13) 73 3.325(26.79) 67 Ferronordite-(Ce) Na3SrCeFe++Si6O17
4.220(21.03) 100 2.085(43.36) 95 5.110(17.34) 85 Boussingaultite (NH4)2Mg(SO4)2•6(H2O)
4.220(21.03) 100 8.450(10.46) 90 3.370(26.43) 70 Leucosphenite Na4BaTi2O2[B2Si10O28]
4.223(21.02) 100 4.207(21.10) 80 3.647(24.39) 59 Tamarugite NaAl(SO4)2•6(H2O)
4.230(20.98) 100 2.456(36.56) 100 1.720(53.21) 100 Hisingerite Fe+++2Si2O5(OH)4•2(H2O)
4.232(20.97) 100 2.362(38.07) 100 2.006(45.16) 100 Khaidarkanite Na0.34Cu4Al3(OH)14F3•2(H2O)
4.240(20.93) 100 2.620(34.20) 80 3.310(26.91) 60 Rodalquilarite H3Fe+++2(Te++++O3)4Cl
4.240(20.93) 100 4.830(18.35) 60 4.920(18.01) 40 Misenite K8H8(SO4)7 (?)
4.240(20.93) 100 2.693(33.24) 80 3.109(28.69) 70 Foggite CaAl(PO4)(OH)2•(H2O)
4.240(20.93) 100 3.650(24.37) 60 4.830(18.35) 40 Misenite K8H8(SO4)7 (?)
4.247(20.90) 100 4.179(21.24) 70 2.730(32.78) 60 Khademite Al(SO4)F•5(H2O)
4.250(20.88) 100 3.640(24.43) 80 3.060(29.16) 80 Karasugite SrCaAl(F,OH)7
4.250(20.88) 100 2.872(31.11) 90 7.030(12.58) 82 Ojuelaite ZnFe+++2(AsO4)2(OH)2•4(H2O)
4.250(20.88) 100 3.060(29.16) 80 3.640(24.43) 80 Karasugite SrCaAl(F,OH)7
4.250(20.88) 100 4.570(19.41) 40 2.964(30.13) 20 Retgersite NiSO4•6(H2O)
4.251(20.88) 100 2.873(31.10) 100 2.768(32.32) 100 Vuonnemite Na11Nb2TiSi4O12(PO4)2O5F2
4.257(20.85) 100 5.601(15.81) 60 2.919(30.60) 55 Struvite (NH4)MgPO4•6(H2O)
4.258(20.84) 100 7.590(11.65) 49 4.060(21.87) 48 Mangazeite Al2(SO4)(OH)4•3H2O
4.260(20.83) 100 5.453(16.24) 42 3.335(26.71) 42 Riomarinaite Bi(OH)SO4•H2O
4.260(20.83) 100 3.335(26.71) 42 5.453(16.24) 42 Riomarinaite Bi(OH)SO4•H2O
4.260(20.83) 100 2.905(30.75) 90 2.048(44.19) 80 Calcioancylite-(Nd) CaNd(CO3)2(OH)•(H2O)
4.260(20.83) 100 3.270(27.25) 90 4.140(21.45) 80 Struvite-(K) KMg(PO4)•6(H2O)
4.260(20.83) 100 4.190(21.19) 60 3.910(22.72) 50 Rostite AlSO4(OH,F)•5(H2O)
4.260(20.83) 100 4.470(19.85) 100 4.120(21.55) 80 Chaoite C
4.260(20.83) 100 3.050(29.26) 100 6.600(13.40) 90 Armstrongite CaZrSi6O15•3(H2O)
4.270(20.79) 100 3.000(29.76) 85 2.940(30.38) 85 Dumontite Pb2(UO2)3O2(PO4)2•5(H2O)
4.270(20.79) 100 2.119(42.63) 80 2.372(37.90) 70 Khatyrkite (Cu,Zn)Al2
4.270(20.79) 100 2.940(30.38) 85 3.000(29.76) 85 Dumontite Pb2(UO2)3O2(PO4)2•5(H2O)
4.270(20.79) 100 8.600(10.28) 100 1.998(45.35) 95 Kirgyzstanite ZnAl4(SO4)(OH)12•3(H2O)
4.270(20.79) 100 1.388(67.42) 100 2.190(41.19) 90 Jeremejevite Al6B5O15(F,OH)3
4.276(20.76) 100 5.160(17.17) 90 5.620(15.76) 50 Camerolaite Cu4Al2[HSbO4,SO4](OH)10(CO3)•2(H2O)
4.279(20.74) 100 3.106(28.72) 60 3.687(24.12) 40 Mundrabillaite (NH4)2Ca(HPO4)2•(H2O)
4.280(20.74) 100 4.810(18.43) 100 6.970(12.69) 100 Arthurite CuFe+++2(AsO4,PO4,SO4)2(O,OH)2•4(H2O)
4.280(20.74) 100 6.970(12.69) 100 4.810(18.43) 100 Arthurite CuFe+++2(AsO4,PO4,SO4)2(O,OH)2•4(H2O)
4.280(20.74) 100 7.630(11.59) 100 3.070(29.06) 80 Gypsum CaSO4•2(H2O)
4.283(20.72) 100 3.021(29.54) 92 10.520(8.40) 54 Braitschite-(Ce) (Ca,Na2)7(Ce,La)2B22O43•7(H2O)
4.290(20.69) 100 2.060(43.92) 89 1.892(48.05) 78 Kozoite-(Nd) (Nd,La,Sm,Pr)(CO3)(OH)
4.290(20.69) 100 2.790(32.05) 70 3.220(27.68) 50 Sternbergite AgFe2S3
4.290(20.69) 100 2.930(30.48) 89 2.060(43.92) 78 Kozoite-(Nd) (Nd,La,Sm,Pr)(CO3)(OH)
4.290(20.69) 100 5.390(16.43) 60 4.830(18.35) 45 Variscite AlPO4•2(H2O)
4.298(20.65) 100 3.250(27.42) 55 4.053(21.91) 45 Alum-(K) KAl(SO4)2•12(H2O)
4.300(20.64) 100 2.440(36.80) 100 11.500(7.68) 100 Ilmajokite (Na,Ce,La,Ba)2TiSi3O5(OH)10•n(H2O) (?)
4.300(20.64) 100 3.500(25.43) 100 4.810(18.43) 100 Halotrichite Fe++Al2(SO4)4•22(H2O)
4.302(20.63) 100 2.670(33.54) 51 2.767(32.33) 51 Hazenite KNaMg2(PO4)2•14H2O
4.302(20.63) 100 2.767(32.33) 51 2.670(33.54) 51 Hazenite KNaMg2(PO4)2•14H2O
4.310(20.59) 100 3.690(24.10) 72 2.930(30.48) 57 Kozoite-(La) La(CO3)(OH)
4.310(20.59) 100 2.192(41.15) 90 3.169(28.14) 70 Lukechangite-(Ce) Na3Ce2(CO3)4F
4.310(20.59) 100 2.644(33.88) 100 3.380(26.35) 80 Montroseite (V+++,Fe+++,V++++)O(OH)
4.314(20.57) 100 2.801(31.92) 70 7.030(12.58) 54 Lanmuchangite TlAl(SO4)2•12(H2O)
4.314(20.57) 100 2.962(30.15) 35 3.526(25.24) 14 Alum-(Na) NaAl(SO4)2•12(H2O)
4.315(20.57) 100 5.630(15.73) 100 3.136(28.44) 80 Carboborite Ca2Mg(CO3)2B2(OH)8•4(H2O)
4.320(20.54) 100 3.190(27.95) 81 4.060(21.87) 57 Sugilite KNa2(Fe+++,Mn+++,Al)2Li3Si12O30
4.320(20.54) 100 3.090(28.87) 100 2.710(33.03) 90 Pharmacolite CaHAsO4•2(H2O)
4.320(20.54) 100 4.110(21.60) 100 4.830(18.35) 100 Kalinite KAl(SO4)2•11(H2O)
4.326(20.51) 100 3.676(24.19) 100 2.074(43.60) 60 Gysinite-(Nd) Pb(Nd,La)(CO3)2(OH)•(H2O)
4.327(20.51) 100 4.079(21.77) 80 3.273(27.22) 75 Tschermigite (NH4)Al(SO4)2•12(H2O)
4.329(20.50) 100 2.928(30.51) 90 3.806(23.35) 90 Kosnarite KZr++++2(PO4)3
4.329(20.50) 100 3.806(23.35) 90 2.928(30.51) 90 Kosnarite KZr++++2(PO4)3
4.330(20.49) 100 6.110(14.48) 100 2.720(32.90) 80 Epistolite (Na,[ ])2{(Na,Ti)4[Nb2(O,H2O)4Si4O14](OH,F)2}•2H2O
4.330(20.49) 100 4.390(20.21) 65 3.060(29.16) 55 Mascagnite (NH4)2SO4
4.330(20.49) 100 3.080(28.97) 80 1.931(47.02) 60 Monohydrocalcite CaCO3•(H2O)
4.330(20.49) 100 2.980(29.96) 90 2.330(38.61) 60 Zircosulfate Zr(SO4)2•4(H2O)
4.330(20.49) 100 1.877(48.46) 90 2.250(40.04) 70 Simmonsite Na2LiAlF6
4.330(20.49) 100 3.520(25.28) 100 4.840(18.31) 40 Dietrichite (Zn,Fe++,Mn)Al2(SO4)4•22(H2O)
4.330(20.49) 100 1.931(47.02) 80 2.170(41.58) 60 Monohydrocalcite CaCO3•(H2O)
4.339(20.45) 100 2.883(30.99) 50 4.067(21.84) 28 Shcherbinaite V2O5
4.340(20.45) 100 3.710(23.97) 100 2.960(30.17) 100 Ancylite-(Ce) SrCe(CO3)2(OH)•(H2O)

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