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 251 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.3369 AND d1 < 3.4731)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.337(26.69) 100 3.248(27.44) 90 3.014(29.61) 80 Yakovenchukite-(Y) K3NaCaY2(Si12O30)•4H2O
3.338(26.68) 100 3.506(25.38) 90 4.000(22.21) 80 Augelite Al2(PO4)(OH)3
3.338(26.68) 100 3.234(27.56) 100 3.015(29.60) 100 Olsacherite Pb2(SeO4)(SO4)
3.340(26.67) 100 10.000(8.84) 75 4.990(17.76) 75 Lepidolite K(Li,Al)3(Si,Al)4O10(F,OH)2
3.340(26.67) 100 4.260(20.83) 80 2.129(42.42) 80 Despujolsite Ca3Mn++++(SO4)2(OH)6•3(H2O)
3.340(26.67) 100 2.300(39.13) 100 3.560(24.99) 80 Alamosite PbSiO3
3.340(26.67) 100 2.879(31.04) 80 2.526(35.51) 80 Tetrataenite FeNi
3.340(26.67) 100 10.500(8.41) 100 2.610(34.33) 70 Veatchite Sr2B11O16(OH)5•(H2O)
3.340(26.67) 100 2.129(42.42) 80 4.260(20.83) 80 Despujolsite Ca3Mn++++(SO4)2(OH)6•3(H2O)
3.340(26.67) 100 4.260(20.83) 70 2.139(42.21) 60 Schaurteite Ca3Ge++++(SO4)2(OH)6•3(H2O)
3.340(26.67) 100 4.260(20.83) 56 4.330(20.49) 53 Heklaite KNaSiF6
3.340(26.67) 100 4.990(17.76) 75 10.000(8.84) 75 Lepidolite K(Li,Al)3(Si,Al)4O10(F,OH)2
3.340(26.67) 100 2.526(35.51) 80 2.879(31.04) 80 Tetrataenite FeNi
3.341(26.66) 100 3.318(26.85) 100 1.808(50.43) 70 Argentopyrite AgFe2S3
3.342(26.65) 100 4.257(20.85) 22 1.818(50.14) 14 Quartz SiO2
3.342(26.65) 100 4.732(18.74) 100 3.024(29.51) 70 Dwornikite (Ni,Fe++)SO4•(H2O)
3.343(26.64) 100 2.961(30.16) 80 2.848(31.38) 45 Lanarkite Pb2(SO4)O
3.343(26.64) 100 3.029(29.46) 63 3.060(29.16) 50 Erniggliite Tl2SnAs2S6
3.345(26.63) 100 3.220(27.68) 80 1.871(48.62) 50 Caminite Mg7(SO4)5(OH)4•(H2O)
3.348(26.60) 100 3.134(28.46) 85 12.450(7.09) 70 Charoite K5Ca8(Si6O15)2(Si2O7)Si4O9(OH)•3(H2O)
3.350(26.59) 100 3.260(27.33) 80 3.070(29.06) 80 Inderborite CaMg[B3O3(OH)5]2•6(H2O)
3.350(26.59) 100 3.470(25.65) 100 3.020(29.55) 95 Celsian BaAl2Si2O8
3.350(26.59) 100 3.360(26.51) 100 4.670(18.99) 90 Dorfmanite Na2(PO3OH)•2(H2O)
3.350(26.59) 100 1.675(54.76) 80 1.541(59.98) 60 Graphite C
3.350(26.59) 100 1.932(46.99) 70 2.193(41.13) 50 Danalite Fe++4Be3(SiO4)3S
3.350(26.59) 100 2.863(31.22) 95 1.980(45.79) 35 Cinnabar HgS
3.350(26.59) 100 3.060(29.16) 90 4.250(20.88) 60 Faizievite K2Na(Ca6Na)Ti4Li6Si24O66F2
3.350(26.59) 100 3.070(29.06) 80 3.260(27.33) 80 Inderborite CaMg[B3O3(OH)5]2•6(H2O)
3.350(26.59) 100 3.130(28.49) 90 1.950(46.53) 80 Schultenite PbHAsO4
3.350(26.59) 100 3.140(28.40) 90 2.620(34.20) 70 Zeravshanite Cs4Na2Zr3(Si18O45)(H2O)2
3.351(26.58) 100 1.768(51.66) 80 2.942(30.36) 80 Laforetite AgInS2
3.351(26.58) 100 2.942(30.36) 80 1.768(51.66) 80 Laforetite AgInS2
3.351(26.58) 100 2.644(33.88) 81 1.765(51.75) 63 Cassiterite SnO2
3.360(26.51) 100 3.200(27.86) 70 2.040(44.37) 70 Giniite Fe++Fe+++4(PO4)4(OH)2•2(H2O)
3.360(26.51) 100 8.970(9.85) 20 1.682(54.51) 20 Sidorenkite Na3Mn(PO4)(CO3)
3.360(26.51) 100 3.350(26.59) 100 4.670(18.99) 90 Dorfmanite Na2(PO3OH)•2(H2O)
3.360(26.51) 100 4.230(20.98) 50 1.640(56.03) 50 Ilsemannite Mo3O8•n(H2O) (?)
3.360(26.51) 100 2.870(31.14) 60 2.960(30.17) 50 Eskimoite Ag7Pb10Bi15S36
3.360(26.51) 100 2.870(31.14) 60 2.960(30.17) 50 Ourayite Pb4Ag3Bi5S13
3.360(26.51) 100 2.058(43.96) 80 1.753(52.13) 60 Hawleyite CdS
3.360(26.51) 100 3.520(25.28) 85 5.600(15.81) 70 Santite KB5O6(OH)4•2(H2O)
3.360(26.51) 100 4.430(20.03) 100 4.660(19.03) 80 Sinoite Si2N2O
3.360(26.51) 100 4.620(19.20) 100 2.340(38.44) 80 Bottinoite NiSb+++++2(OH)12•6(H2O)
3.360(26.51) 100 4.640(19.11) 85 5.280(16.78) 75 Downeyite SeO2
3.360(26.51) 100 2.040(44.37) 70 3.200(27.86) 70 Giniite Fe++Fe+++4(PO4)4(OH)2•2(H2O)
3.360(26.51) 100 1.682(54.51) 20 8.970(9.85) 20 Sidorenkite Na3Mn(PO4)(CO3)
3.360(26.51) 100 1.640(56.03) 50 4.230(20.98) 50 Ilsemannite Mo3O8•n(H2O) (?)
3.361(26.50) 100 3.313(26.89) 80 4.840(18.31) 60 Barbosalite Fe++Fe+++2(PO4)2(OH)2
3.362(26.49) 100 3.965(22.40) 90 2.733(32.74) 70 Eucryptite LiAlSiO4
3.363(26.48) 100 2.996(29.80) 100 2.895(30.86) 100 Gustavite PbAgBi3S6 (?)
3.364(26.47) 100 4.329(20.50) 70 3.897(22.80) 70 Filatovite K[(Al,Zn)2(As,Si)2O8]
3.364(26.47) 100 3.897(22.80) 70 4.329(20.50) 70 Filatovite K[(Al,Zn)2(As,Si)2O8]
3.367(26.45) 100 2.592(34.58) 90 1.754(52.10) 90 Tapiolite-(Mn) (Mn++,Fe++)(Ta,Nb)2O6
3.367(26.45) 100 10.200(8.66) 100 2.644(33.88) 80 Siderophyllite KFe++2Al(Al2Si2)O10(F,OH)2
3.367(26.45) 100 7.240(12.21) 100 3.068(29.08) 80 Bannermanite (Na,K)0.7V+++++6O15
3.367(26.45) 100 1.754(52.10) 90 2.592(34.58) 90 Tapiolite-(Mn) (Mn++,Fe++)(Ta,Nb)2O6
3.369(26.43) 100 4.280(20.74) 25 1.835(49.64) 16 Berlinite AlPO4
3.370(26.43) 100 2.520(35.60) 55 2.020(44.83) 55 Kinoshitalite (Ba,K)(Mg,Mn,Al)3Si2Al2O10(OH)2
3.370(26.43) 100 3.300(27.00) 100 5.090(17.41) 100 Jungite Ca2Zn4Fe+++8(PO4)9(OH)9•16(H2O)
3.370(26.43) 100 2.020(44.83) 55 2.520(35.60) 55 Kinoshitalite (Ba,K)(Mg,Mn,Al)3Si2Al2O10(OH)2
3.370(26.43) 100 10.100(8.75) 100 2.660(33.67) 80 Biotite K(Mg,Fe++)3[AlSi3O10(OH,F)2
3.370(26.43) 100 11.300(7.82) 100 3.860(23.02) 80 Boggsite NaCa2(Al5Si19O48)•17(H2O)
3.370(26.43) 100 2.640(33.93) 64 3.310(26.91) 58 Arapovite (U,Th)(Ca,Na)2(K1-x[ ]x)Si8O20•H2O, x=0.5
3.370(26.43) 100 3.460(25.73) 100 4.200(21.14) 90 Bikitaite Li2[Al2Si4O12]•2(H2O)
3.370(26.43) 100 3.260(27.33) 90 3.900(22.78) 30 Rayite (Ag,Tl)2Pb8Sb8S21
3.370(26.43) 100 3.180(28.04) 80 8.700(10.16) 60 Sainfeldite Ca5(AsO3OH)2(AsO4)2•4(H2O)
3.370(26.43) 100 2.409(37.30) 85 3.220(27.68) 75 Litidionite KNaCuSi4O10
3.370(26.43) 100 2.057(43.98) 90 1.756(52.04) 80 Gananite BiF3
3.376(26.38) 100 8.583(10.30) 100 3.386(26.30) 100 Sekaninaite (Fe++,Mg)2Al4Si5O18
3.376(26.38) 100 3.203(27.83) 80 2.584(34.69) 70 Lucasite-(Ce) CeTi2(O,OH)6
3.376(26.38) 100 3.386(26.30) 100 8.583(10.30) 100 Sekaninaite (Fe++,Mg)2Al4Si5O18
3.380(26.35) 100 2.177(41.44) 90 2.073(43.63) 80 Xilingolite Pb3Bi2S6
3.380(26.35) 100 2.068(43.74) 55 1.764(51.78) 45 Metacinnabar HgS
3.380(26.35) 100 1.512(61.25) 80 2.190(41.19) 80 Boromullite Al4.5SiB0.5O9.5
3.380(26.35) 100 2.000(45.30) 100 3.400(26.19) 100 Ardaite Pb19Sb13S35Cl7
3.380(26.35) 100 2.920(30.59) 100 3.020(29.55) 80 Barylite BaBe2Si2O7
3.380(26.35) 100 2.979(29.97) 100 6.430(13.76) 50 Phoenicochroite Pb2(CrO4)O
3.380(26.35) 100 3.000(29.76) 30 2.793(32.02) 30 Thadeuite (Ca,Mn++)(Mg,Fe++,Mn+++)3(PO4)2(OH,F)2
3.380(26.35) 100 2.190(41.19) 80 1.512(61.25) 80 Boromullite Al4.5SiB0.5O9.5
3.380(26.35) 100 7.320(12.08) 90 5.220(16.97) 90 Steacyite K1-x(Ca,Na)2ThSi8O20 (x=0.2 to 0.4)
3.380(26.35) 100 8.480(10.42) 80 3.150(28.31) 70 Sadanagaite (K,Na)Ca2(Fe++,Mg,Al,Ti)5[(Si,Al)8O22](OH)2
3.380(26.35) 100 3.780(23.52) 70 2.840(31.47) 70 Dadsonite Pb21Sb23S55Cl
3.380(26.35) 100 5.600(15.81) 100 6.800(13.01) 60 Minyulite KAl2(PO4)2(OH,F)•4(H2O)
3.380(26.35) 100 5.220(16.97) 90 7.320(12.08) 90 Steacyite K1-x(Ca,Na)2ThSi8O20 (x=0.2 to 0.4)
3.380(26.35) 100 3.520(25.28) 100 2.070(43.69) 60 Lausenite Fe+++2(SO4)3•6(H2O)
3.380(26.35) 100 2.903(30.77) 50 2.787(32.09) 45 Minium Pb++2Pb++++O4
3.380(26.35) 100 2.840(31.47) 70 3.780(23.52) 70 Dadsonite Pb21Sb23S55Cl
3.380(26.35) 100 2.793(32.02) 30 3.000(29.76) 30 Thadeuite (Ca,Mn++)(Mg,Fe++,Mn+++)3(PO4)2(OH,F)2
3.380(26.35) 100 2.548(35.19) 90 10.100(8.75) 80 Magnesioastrophyllite K2Na[Na(Fe++,Fe+++,Mn)Mg2]Ti2Si8O26(OH)4F
3.382(26.33) 100 2.681(33.39) 70 1.701(53.85) 50 Dukeite Bi+++24Cr++++++8O57(OH)6(H2O)3
3.382(26.33) 100 1.701(53.85) 70 7.650(11.56) 50 Dukeite Bi+++24Cr++++++8O57(OH)6(H2O)3
3.385(26.31) 100 3.315(26.87) 78 2.939(30.39) 47 Wilhelmkleinite ZnFe+++3(AsO4)2(OH)2
3.386(26.30) 100 1.955(46.41) 34 2.623(34.15) 12 Helvite Mn4Be3(SiO4)3S
3.386(26.30) 100 2.553(35.12) 90 2.921(30.58) 80 Souzalite (Mg,Fe++)3(Al,Fe+++)4(PO4)4(OH)6•2(H2O)
3.386(26.30) 100 3.376(26.38) 100 8.583(10.30) 100 Sekaninaite (Fe++,Mg)2Al4Si5O18
3.387(26.29) 100 2.166(41.66) 100 1.925(47.17) 80 Stenonite (Sr,Ba,Na)2Al(CO3)F5
3.390(26.27) 100 3.320(26.83) 100 2.785(32.11) 70 Playfairite Pb16Sb18S43
3.390(26.27) 100 3.920(22.66) 80 4.040(21.98) 80 Robinsonite Pb4Sb6S13
3.390(26.27) 100 3.220(27.68) 70 4.410(20.12) 70 Gillespite BaFe++Si4O10
3.390(26.27) 100 4.320(20.54) 57 3.130(28.49) 50 Jarandolite Ca[B3O4(OH)3]

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