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 602 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.97528 AND d1 < 3.09672)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.976(3-) 100 2.966(30.10) 95 3.644(24.41) 46 Titanowodginite (Mn++,Fe++)(Ti,Sn)(Ta,Nb)2O8
2.976(3-) 100 2.966(30.10) 95 3.644(24.41) 46 IMA2000-026 (Mn,Li)4(Ta,Sn)4(Ta,Nb)8O32
2.976(3-) 100 2.929(30.49) 100 3.573(24.90) 90 Watkinsonite PbCu2Bi4(Se,S)8
2.977(29.99) 100 2.853(31.33) 88 4.324(20.52) 68 Labyrinthite (Na,K,Sr)35Ca12Fe3Zr6TiSi51O144(O,OH,H2O)9Cl3
2.977(29.99) 100 3.675(24.20) 40 1.726(53.01) 16 Columbite-(Fe) Fe++Nb2O6
2.978(29.98) 100 3.663(24.28) 70 2.339(38.46) 65 Marumoite Pb32As40S92
2.979(29.97) 100 3.380(26.35) 100 6.430(13.76) 50 Phoenicochroite Pb2(CrO4)O
2.980(29.96) 100 1.642(55.95) 80 1.993(45.47) 70 Lorettoite Pb7O6Cl2
2.980(29.96) 100 1.750(52.23) 50 2.530(35.45) 30 Zirconolite-3T CaZrTi2O7
2.980(29.96) 100 2.550(35.16) 100 1.955(46.41) 90 Balkanite Cu9Ag5HgS8
2.980(29.96) 100 3.740(23.77) 80 3.690(24.10) 80 Koragoite (Mn++,Fe+++)3(Nb,Ta,Ti)2(Nb,Mn)2(W,Ta)2O20
2.980(29.96) 100 11.500(7.68) 90 2.856(31.29) 80 Manganokhomyakovite Na12Sr3Ca6Mn3Zr3W(Si25O73)(O,OH,H2O)3(OH,Cl)2
2.980(29.96) 100 1.836(49.61) 80 1.563(59.05) 80 Microlite (Na,Ca)2Ta2O6(O,OH,F)
2.980(29.96) 100 1.763(51.81) 100 2.459(36.51) 90 Konderite PbCu3(Rh,Pt,Ir)8S16
2.980(29.96) 100 1.930(47.04) 100 3.270(27.25) 100 Juanite Ca10Mg4Al2Si11O39•4(H2O) (?)
2.980(29.96) 100 2.220(40.60) 100 5.740(15.42) 90 Svanbergite SrAl3(PO4)(SO4)(OH)6
2.980(29.96) 100 2.860(31.25) 100 3.430(25.96) 90 Taseqite Na12Sr3Ca6Fe3Zr3NbSi25O73(O,OH,H2O)3Cl2
2.980(29.96) 100 2.880(31.03) 100 3.310(26.91) 100 Fornacite Pb2Cu(CrO4)(AsO4)(OH)
2.980(29.96) 100 2.920(30.59) 100 3.490(25.50) 100 Tvalchrelidzeite Hg3SbAsS3
2.980(29.96) 100 2.670(33.54) 100 2.520(35.60) 100 Hydrohalite NaCl•2(H2O)
2.980(29.96) 100 11.500(7.68) 90 2.856(31.29) 80 Khomyakovite Na12Sr3Ca6Fe3Zr3W(Si25O73)(O,OH,H2O)3 (OH,Cl)2
2.980(29.96) 100 5.770(15.34) 90 3.530(25.21) 60 Lusungite (Sr,Pb)Fe+++3(PO4)2(OH)5•(H2O)
2.980(29.96) 100 5.700(15.53) 90 2.438(36.84) 80 Inaglyite PbCu3(Ir,Pt)8S16
2.980(29.96) 100 3.650(24.37) 32 1.459(63.73) 29 Ixiolite (Ta,Nb,Sn,Mn++,Fe++)O2
2.980(29.96) 100 3.620(24.57) 80 3.490(25.50) 60 Christite TlHgAsS3
2.980(29.96) 100 3.190(27.95) 90 2.150(41.99) 70 Jarlite Na(Sr,Na,[ ])7(Mg,[ ])Al6F32(OH,H2O)2
2.980(29.96) 100 2.920(30.59) 90 3.130(28.49) 40 Samarskite-(Y) (Y,Fe+++,U)(Nb,Ta)5O4
2.980(29.96) 100 2.770(32.29) 80 1.642(55.95) 70 Lorettoite Pb7O6Cl2
2.980(29.96) 100 2.283(39.44) 80 1.909(47.59) 70 Walthierite Ba0.5Al3(SO4)2(OH)6
2.980(29.96) 100 2.265(39.76) 87 4.530(19.58) 86 Adranosite (NH4)4NaAl2(SO4)4Cl(OH)2
2.980(29.96) 100 1.820(50.08) 50 1.750(52.23) 30 Zirconolite-3T CaZrTi2O7
2.980(29.96) 100 1.820(50.08) 50 2.530(35.45) 30 Zirkelite (Ca,Th,Ce)Zr(Ti,Nb)2O7
2.980(29.96) 100 1.746(52.36) 77 2.469(36.36) 55 Greigite Fe++Fe+++2S4
2.980(29.96) 100 1.563(59.05) 80 1.836(49.61) 80 Microlite (Na,Ca)2Ta2O6(O,OH,F)
2.980(29.96) 100 1.400(66.76) 80 2.130(42.40) 70 Omphacite (Ca,Na)(Mg,Fe++,Al)Si2O6
2.980(29.96) 100 4.820(18.39) 90 5.910(14.98) 70 Olivenite Cu2AsO4(OH)
2.980(29.96) 100 3.690(24.10) 80 3.740(23.77) 80 Koragoite (Mn++,Fe+++)3(Nb,Ta,Ti)2(Nb,Mn)2(W,Ta)2O20
2.981(29.95) 100 5.730(15.45) 90 3.510(25.35) 90 Hidalgoite PbAl3(AsO4)(SO4)(OH)6
2.981(29.95) 100 2.737(32.69) 80 3.100(28.77) 60 Sundiusite Pb10(SO4)Cl2O8
2.981(29.95) 100 3.510(25.35) 90 5.730(15.45) 90 Hidalgoite PbAl3(AsO4)(SO4)(OH)6
2.982(29.94) 100 1.833(49.70) 80 1.562(59.09) 70 Jixianite Pb(W,Fe+++)2(O,OH)7
2.983(29.93) 100 2.440(36.80) 50 3.270(27.25) 50 Rhodizite (K,Cs)Al4Be4(B,Be)12O28
2.983(29.93) 100 2.816(31.75) 78 1.989(45.57) 75 Parkinsonite (Pb,Mo,[ ])8O8Cl2
2.983(29.93) 100 3.158(28.24) 90 2.838(31.50) 65 Serandite Na(Mn++,Ca)2Si3O8(OH)
2.983(29.93) 100 3.270(27.25) 50 2.440(36.80) 50 Rhodizite (K,Cs)Al4Be4(B,Be)12O28
2.983(29.93) 100 2.702(33.13) 82 6.631(13.34) 70 Thermessaite K2[AlF3SO4]
2.983(29.93) 100 3.503(25.41) 20 2.625(34.13) 19 Vastmanlandite-(Ce) (Ce,La)3CaAl2Mg2[Si2O7][SiO4]3F(OH)2
2.984(29.92) 100 2.851(31.35) 80 3.117(28.61) 66 Hydroxylwagnerite Mg2(PO4)(OH)
2.984(29.92) 100 3.173(28.10) 90 2.484(36.13) 80 Lapeyreite Cu3O[AsO3(OH)]2•H2O
2.985(29.91) 100 3.297(27.02) 65 3.123(28.56) 63 Wagnerite (Mg,Fe++)2(PO4)F
2.985(29.91) 100 1.845(49.35) 40 2.548(35.19) 35 Stenhuggarite CaFe+++(As+++O2)(As+++Sb+++O5)
2.985(29.91) 100 11.972(7.38) 100 3.540(25.14) 60 Tlapallite H6(Ca,Pb)2Cu3(SO4)(Te++++O3)4(Te++++++O6)
2.986(29.90) 100 1.830(49.79) 82 5.970(14.83) 65 Chlorbartonite K6Fe24S26(Cl,S)
2.986(29.90) 100 3.100(28.77) 100 1.911(47.54) 50 Gotzenite (Ca,Na)3(Ti,Al)Si2O7(F,OH)2
2.987(29.89) 100 4.390(20.21) 100 2.850(31.36) 79 Aqualite (H3O)8(Na,K,Sr)5Ca6Zr3Si26O66(OH)9Cl
2.987(29.89) 100 3.650(24.37) 82 2.940(30.38) 50 Lithiowodginite LiTa3O8
2.987(29.89) 100 4.345(20.42) 81 2.861(31.24) 70 Rastsvetaevite Na27K8Ca12Fe3Zr6Si52O144(O,OH,H2O)6Cl2
2.988(29.88) 100 3.404(26.16) 86 1.873(48.57) 55 Paratellurite TeO2
2.988(29.88) 100 4.320(20.54) 40 4.130(21.50) 40 Mattheddleite Pb20(SiO4)7(SO4)4Cl4
2.988(29.88) 100 4.130(21.50) 40 4.320(20.54) 40 Mattheddleite Pb20(SiO4)7(SO4)4Cl4
2.988(29.88) 100 3.068(29.08) 85 3.384(26.31) 60 Vanadinite Pb5(VO4)3Cl
2.989(29.87) 100 4.050(21.93) 50 4.810(18.43) 50 Carbocernaite (Ca,Na)(Sr,Ce,Ba)(CO3)2
2.989(29.87) 100 4.146(21.41) 100 2.495(35.97) 90 Routhierite TlCu(Hg,Zn)2(As,Sb)2S3
2.989(29.87) 100 3.034(29.41) 91 5.097(17.38) 80 Margarosanite Pb(Ca,Mn++)2Si3O9
2.989(29.87) 100 1.561(59.14) 40 1.830(49.79) 40 Stibiobetafite (Sb+++,Ca)2(Ti,Nb,Ta)2(O,OH)7
2.989(29.87) 100 1.830(49.79) 40 1.561(59.14) 40 Stibiobetafite (Sb+++,Ca)2(Ti,Nb,Ta)2(O,OH)7
2.989(29.87) 100 4.810(18.43) 50 4.050(21.93) 50 Carbocernaite (Ca,Na)(Sr,Ce,Ba)(CO3)2
2.990(29.86) 100 2.113(42.76) 70 2.441(36.79) 50 Londonite CsAl4Be4(B,Be)12O28
2.990(29.86) 100 2.350(38.27) 90 2.093(43.19) 90 Liveingite Pb9As13S28
2.990(29.86) 100 3.660(24.30) 40 2.950(30.27) 40 Euxenite-(Y) (Y,Ca,Ce)(Nb,Ta,Ti)2O6
2.990(29.86) 100 2.960(30.17) 100 5.622(15.75) 65 Biehlite (Sb,As)2MoO6
2.990(29.86) 100 11.580(7.63) 100 1.652(55.59) 80 Ershovite Na4K3(Fe++,Mn++,Ti)2Si8O20(OH)4•5(H2O)
2.990(29.86) 100 6.580(13.45) 20 2.700(33.15) 20 Walstromite BaCa2Si3O9
2.990(29.86) 100 2.812(31.80) 100 3.070(29.06) 100 Jeppeite (K,Ba)2(Ti,Fe+++)6O13
2.990(29.86) 100 7.930(11.15) 100 2.700(33.15) 100 Clinoholmquistite [ ](Li2Mg3Al2)Si8O22(OH)2
2.990(29.86) 100 2.890(30.92) 100 2.293(39.26) 80 Alunite KAl3(SO4)2(OH)6
2.990(29.86) 100 3.730(23.84) 70 3.470(25.65) 70 Livingstonite HgSb4S8
2.990(29.86) 100 2.830(31.59) 100 2.140(42.19) 50 Tristramite (Ca,U++++,Fe+++)(PO4,SO4)•2(H2O)
2.990(29.86) 100 3.400(26.19) 100 3.090(28.87) 100 Epididymite NaBeSi3O7(OH)
2.990(29.86) 100 2.950(30.27) 40 3.660(24.30) 40 Euxenite-(Y) (Y,Ca,Ce)(Nb,Ta,Ti)2O6
2.990(29.86) 100 2.700(33.15) 20 6.580(13.45) 20 Walstromite BaCa2Si3O9
2.990(29.86) 100 2.690(33.28) 40 1.800(50.67) 30 Romarchite SnO
2.990(29.86) 100 2.296(39.20) 95 2.963(30.14) 94 Georgbokiite Cu5O2(SeO3)2Cl2
2.990(29.86) 100 2.093(43.19) 90 2.350(38.27) 90 Liveingite Pb9As13S28
2.990(29.86) 100 2.090(43.25) 90 2.910(30.70) 70 Calaverite AuTe2
2.990(29.86) 100 1.900(47.83) 50 1.480(62.73) 40 Uranopolycrase (U,Y)(Ti,Nb,Ta)2O6
2.990(29.86) 100 1.799(50.70) 90 5.540(15.98) 80 Rasvumite KFe2S3
2.990(29.86) 100 1.750(52.23) 90 2.471(36.33) 80 Ferrorhodsite (Fe,Cu)(Rh,Ir,Pt)2S4
2.990(29.86) 100 3.080(28.97) 90 3.240(27.51) 70 Trigonite Pb3Mn(As+++O3)2(As+++O2OH)
2.990(29.86) 100 3.090(28.87) 100 3.400(26.19) 100 Epididymite NaBeSi3O7(OH)
2.990(29.86) 100 3.220(27.68) 80 3.350(26.59) 60 Roselite Ca2(Co,Mg)(AsO4)2•2(H2O)
2.990(29.86) 100 1.620(56.78) 100 1.430(65.18) 100 Augite (Ca,Na)(Mg,Fe,Al,Ti)(Si,Al)2O6
2.990(29.86) 100 2.350(38.27) 90 3.423(26.01) 90 Liveingite Pb9As13S28
2.990(29.86) 100 1.800(50.67) 40 1.600(57.56) 30 Romarchite SnO
2.990(29.86) 100 1.736(52.68) 60 2.140(42.19) 40 Kashinite (Ir,Rh)2S3
2.990(29.86) 100 3.690(24.10) 90 2.410(37.28) 70 Tantalite-(Mn) MnTa2O6
2.990(29.86) 100 3.550(25.06) 90 1.769(51.63) 60 Arsenocrandallite (Ca,Sr)Al3[(As,P)O4]2(OH)5•(H2O)
2.990(29.86) 100 3.470(25.65) 70 3.730(23.84) 70 Livingstonite HgSb4S8
2.991(29.85) 100 2.528(35.48) 40 2.893(30.88) 30 Diopside CaMgSi2O6
2.991(29.85) 100 3.695(24.06) 35 1.736(52.68) 14 Columbite-(Mn) (Mn,Fe++)(Nb,Ta)2O6

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