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 279 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.28398 AND d1 < 3.41802)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.284(27.13) 100 2.997(29.79) 80 2.446(36.71) 60 Dugganite Pb3Zn3Te(As,V,Si)2(O,OH)14
3.288(27.10) 100 3.136(28.44) 100 4.960(17.87) 90 Lovdarite K2Na6Be4Si14O36•9(H2O)
3.289(27.09) 100 3.426(25.99) 100 4.037(22.00) 90 Eztlite Pb2Fe+++6(Te++++O3)3(Te++++++O6)(OH)10•8(H2O)
3.289(27.09) 100 4.550(19.49) 58 3.262(27.32) 35 Changoite Na2Zn(SO4)2•4(H2O)
3.290(27.08) 100 2.412(37.25) 80 1.703(53.78) 80 Tugarinovite MoO2
3.290(27.08) 100 2.590(34.60) 100 3.000(29.76) 80 Crookesite Cu7(Tl,Ag)Se4
3.290(27.08) 100 2.940(30.38) 100 1.650(55.66) 80 Bazzite Be3(Sc,Al)2Si6O18
3.290(27.08) 100 3.140(28.40) 100 3.150(28.31) 94 Chekhovichite (Bi,Pb,Fe)2Te4O11
3.290(27.08) 100 3.780(23.52) 90 3.000(29.76) 90 Cuprorivaite CaCuSi4O10
3.290(27.08) 100 4.810(18.43) 100 3.690(24.10) 100 Microsommite (Na,Ca,K)7-8(Si,Al)12O24(Cl,SO4)2-3
3.290(27.08) 100 9.800(9.02) 80 1.980(45.79) 55 Zinnwaldite KLiFe++Al(AlSi3)O10(F,OH)2
3.290(27.08) 100 3.870(22.96) 100 4.810(18.43) 90 Halurgite Mg2[B4O5(OH)4]2•(H2O)
3.290(27.08) 100 1.701(53.85) 80 3.380(26.35) 60 Umbozerite Na3Sr4ThSi8(O,OH)24
3.290(27.08) 100 1.703(53.78) 80 2.412(37.25) 80 Tugarinovite MoO2
3.290(27.08) 100 1.925(47.17) 90 3.840(23.14) 40 Shadlunite (Pb,Cd)(Fe,Cu)8S8
3.290(27.08) 100 2.512(35.71) 70 4.430(20.03) 60 Hafnon HfSiO4
3.290(27.08) 100 3.000(29.76) 80 1.903(47.75) 50 Kuksite Pb3Zn3Te++++++O6(PO4)2
3.290(27.08) 100 3.000(29.76) 90 3.780(23.52) 90 Cuprorivaite CaCuSi4O10
3.290(27.08) 100 3.690(24.10) 100 4.810(18.43) 100 Microsommite (Na,Ca,K)7-8(Si,Al)12O24(Cl,SO4)2-3
3.291(27.07) 100 2.614(34.28) 80 3.039(29.37) 75 Maxwellite NaFe+++(AsO4)F
3.292(27.06) 100 3.241(27.50) 96 4.225(21.01) 58 Microcline KAlSi3O8
3.293(27.06) 100 4.726(18.76) 57 2.894(30.87) 51 Vauquelinite Pb2Cu(CrO4)(PO4)(OH)
3.293(27.06) 100 1.693(54.13) 45 2.464(36.43) 42 Pretulite ScPO4
3.295(27.04) 100 2.925(30.54) 75 4.430(20.03) 55 Nitromagnesite Mg(NO3)2•6(H2O)
3.296(27.03) 100 2.809(31.83) 80 2.945(30.32) 40 Diaphorite Pb2Ag3Sb3S8
3.298(27.01) 100 3.688(24.11) 100 4.820(18.39) 80 Afghanite (Na,Ca,K)8(Si,Al)12O24(SO4,Cl,CO3)3•(H2O)
3.299(27.01) 100 3.257(27.36) 100 3.324(26.80) 100 Terskite Na4ZrSi6O15(OH)2•2(H2O)
3.299(27.01) 100 3.130(28.49) 100 6.589(13.43) 75 Montesommaite (K,Na)9Al9Si23O64•10(H2O)
3.300(27.00) 100 2.730(32.78) 100 3.580(24.85) 100 Vaterite CaCO3
3.300(27.00) 100 3.780(23.52) 60 2.720(32.90) 60 Kelyanite (Hg+2)6(SbO6)BrCl2
3.300(27.00) 100 3.160(28.22) 100 2.530(35.45) 100 Odintsovite K2Na4Ca3Ti2Be4Si12O38
3.300(27.00) 100 5.090(17.41) 100 3.370(26.43) 100 Jungite Ca2Zn4Fe+++8(PO4)9(OH)9•16(H2O)
3.300(27.00) 100 2.905(30.75) 80 2.761(32.40) 80 Paulmooreite Pb2As+++2O5
3.300(27.00) 100 4.430(20.03) 45 2.518(35.63) 45 Zircon ZrSiO4
3.300(27.00) 100 3.273(27.22) 97 1.762(51.85) 41 Kassite CaTi2O4(OH)2
3.300(27.00) 100 3.370(26.43) 100 5.090(17.41) 100 Jungite Ca2Zn4Fe+++8(PO4)9(OH)9•16(H2O)
3.300(27.00) 100 3.250(27.42) 80 2.331(38.59) 56 Tinaksite K2Na(Ca,Mn++)2(Ti,Fe)O[Si7O18(OH)]
3.300(27.00) 100 3.050(29.26) 90 2.510(35.74) 50 Chiluite Bi6Te++++++2Mo++++++2O21
3.300(27.00) 100 4.010(22.15) 90 2.520(35.60) 70 Laurionite PbCl(OH)
3.300(27.00) 100 3.000(29.76) 90 1.607(57.28) 60 Cheremnykhite Zn3Pb3Te++++O6(VO4)2
3.300(27.00) 100 2.920(30.59) 70 4.650(19.07) 50 Carnallite KMgCl3•6(H2O)
3.300(27.00) 100 2.900(30.81) 80 3.450(25.80) 40 Andorite PbAgSb3S6
3.300(27.00) 100 2.900(30.81) 80 3.800(23.39) 30 Uchucchacuaite AgPb3MnSb5S12
3.300(27.00) 100 2.761(32.40) 80 2.905(30.75) 80 Paulmooreite Pb2As+++2O5
3.300(27.00) 100 2.720(32.90) 60 3.780(23.52) 60 Kelyanite (Hg+2)6(SbO6)BrCl2
3.300(27.00) 100 2.518(35.63) 45 4.430(20.03) 45 Zircon ZrSiO4
3.300(27.00) 100 2.250(40.04) 20 1.400(66.76) 10 Allophane Al2O3•(SiO2)1.3-2•((H2O))2.5-3
3.302(26.98) 100 3.163(28.19) 69 3.110(28.68) 69 Hemihedrite Pb10Zn(CrO4)6(SiO4)2F2
3.302(26.98) 100 3.110(28.68) 69 3.163(28.19) 69 Hemihedrite Pb10Zn(CrO4)6(SiO4)2F2
3.304(26.96) 100 2.584(34.69) 49 1.732(52.81) 36 Squawcreekite (Fe+++,Sb+++++,W++++++)O4•(H2O)
3.305(26.96) 100 2.864(31.20) 84 3.328(26.77) 82 Wallisite PbTl(Cu,Ag)As2S5
3.307(26.94) 100 3.027(29.48) 95 3.950(22.49) 95 Tinticite Fe+++5(PO4,VO4)4•7(H2O)
3.307(26.94) 100 3.950(22.49) 95 3.027(29.48) 95 Tinticite Fe+++5(PO4,VO4)4•7(H2O)
3.307(26.94) 100 2.880(31.03) 90 4.160(21.34) 65 Milarite K2Ca4Al2Be4Si24O60•(H2O)
3.310(26.91) 100 2.980(29.96) 100 2.880(31.03) 100 Fornacite Pb2Cu(CrO4)(AsO4)(OH)
3.310(26.91) 100 3.070(29.06) 100 3.590(24.78) 100 Polylithionite KLi2AlSi4O10(F,OH)2
3.310(26.91) 100 2.870(31.14) 100 1.740(52.55) 100 Hollingworthite (Rh,Pt,Pd)AsS
3.310(26.91) 100 2.800(31.94) 62 2.710(33.03) 40 Tokyoite Ba2Mn(VO4)2(OH)
3.310(26.91) 100 2.640(33.93) 100 5.280(16.78) 100 Iraqite-(La) K(La,Ce,Th)2(Ca,Na)4(Si,Al)16O40
3.310(26.91) 100 3.130(28.49) 86 2.930(30.48) 84 Wurtzite (Zn,Fe)S
3.310(26.91) 100 3.710(23.97) 100 4.850(18.28) 70 Quadridavyne (Na,K)6Ca2Al6Si6O24Cl4
3.311(26.91) 100 1.635(56.21) 100 7.400(11.95) 100 Akaganeite Fe+++(O,OH,Cl)
3.313(26.89) 100 3.361(26.50) 65 3.800(23.39) 53 Tazieffite Pb20Cd2(As,Bi)22S50Cl10
3.314(26.88) 100 3.830(23.20) 85 3.520(25.28) 80 Wollastonite-3A-4A-5A-7A CaSiO3
3.314(26.88) 100 3.206(27.80) 60 1.656(55.44) 40 Lipscombite (Fe++,Mn)Fe+++2(PO4)2(OH)2
3.314(26.88) 100 2.863(31.22) 90 3.401(26.18) 80 Hatchite (Pb,Tl)2AgAs2S5
3.314(26.88) 100 2.292(39.28) 100 5.507(16.08) 100 Diaboleite Pb2CuCl2(OH)4
3.314(26.88) 100 3.830(23.20) 85 3.520(25.28) 80 Wollastonite-1A CaSiO3
3.318(26.85) 100 2.662(33.64) 30 8.923(9.90) 20 Bonshtedtite Na3Fe++(PO4)(CO3)
3.318(26.85) 100 3.341(26.66) 100 1.808(50.43) 70 Argentopyrite AgFe2S3
3.319(26.84) 100 3.232(27.58) 90 5.620(15.76) 70 Bamfordite Fe+++Mo2O6(OH)3•(H2O)
3.319(26.84) 100 3.495(25.46) 100 7.120(12.42) 100 Rameauite K2CaU++++++6O20•9(H2O)
3.319(26.84) 100 7.120(12.42) 100 3.495(25.46) 100 Rameauite K2CaU++++++6O20•9(H2O)
3.320(26.83) 100 2.870(31.14) 100 1.740(52.55) 100 Irarsite (Ir,Ru,Rh,Pt)AsS
3.320(26.83) 100 4.990(17.76) 90 2.490(36.04) 80 Anandite (Ba,K)(Fe++,Mg)3(Si,Al,Fe)4O10(S,OH)2
3.320(26.83) 100 2.671(33.52) 80 13.400(6.59) 50 Hyttsjoite Pb18Ba2Ca5Mn++2Fe+++2Si30O90Cl•6(H2O)
3.320(26.83) 100 3.490(25.50) 30 3.680(24.16) 20 Lopezite K2Cr2O7
3.320(26.83) 100 3.060(29.16) 100 2.730(32.78) 60 Tungstibite Sb2O3•WO3
3.320(26.83) 100 3.390(26.27) 100 2.785(32.11) 70 Playfairite Pb16Sb18S43
3.320(26.83) 100 2.939(30.39) 55 3.290(27.08) 55 Fizelyite Pb14Ag5Sb21S48 (?)
3.320(26.83) 100 2.845(31.42) 60 2.979(29.97) 60 Molybdofornacite Pb2Cu[(As,P)O4][(Mo,Cr)O4](OH)
3.320(26.83) 100 1.912(47.51) 85 2.570(34.88) 65 Kadyrelite Hg4(Br,Cl)2O
3.320(26.83) 100 1.730(52.88) 90 2.570(34.88) 90 Bystromite MgSb2O6
3.320(26.83) 100 2.660(33.67) 100 2.570(34.88) 80 Bradleyite Na3Mg(PO4)(CO3)
3.320(26.83) 100 9.950(8.88) 95 2.570(34.88) 55 Muscovite KAl2(Si3Al)O10(OH,F)2
3.320(26.83) 100 10.100(8.75) 72 3.350(26.59) 65 Masutomilite K(Li,Al,Mn++)3[(Si,Al)4O10](F,OH)2
3.320(26.83) 100 2.750(32.53) 100 3.030(29.45) 90 Denisovite (K,Na)Ca2Si3O8(F,OH)
3.320(26.83) 100 3.290(27.08) 55 2.939(30.39) 55 Fizelyite Pb14Ag5Sb21S48 (?)
3.320(26.83) 100 2.979(29.97) 60 2.845(31.42) 60 Molybdofornacite Pb2Cu[(As,P)O4][(Mo,Cr)O4](OH)
3.320(26.83) 100 2.570(34.88) 90 1.730(52.88) 90 Bystromite MgSb2O6
3.321(26.82) 100 3.358(26.52) 86 3.090(28.87) 60 Ferroceladonite K2Fe++Fe+++Si8O20(OH)4
3.321(26.82) 100 3.358(26.52) 86 3.090(28.87) 60 Ferroaluminoceladonite K2Fe++2Al2Si8O20(OH)4
3.322(26.81) 100 3.248(27.44) 93 6.940(12.74) 84 Sidwillite MoO3•2(H2O)
3.322(26.81) 100 4.546(19.51) 96 3.029(29.46) 85 Oswaldpeetersite (UO2)2CO3(OH)2•4(H2O)
3.324(26.80) 100 3.299(27.01) 100 3.257(27.36) 100 Terskite Na4ZrSi6O15(OH)2•2(H2O)
3.324(26.80) 100 2.029(44.62) 90 1.731(52.85) 60 IMA2009-014 SrF2
3.326(26.78) 100 4.790(18.51) 80 3.210(27.77) 60 Zinclipscombite ZnFe+++2(PO4)2(OH)
3.330(26.75) 100 2.530(35.45) 60 2.564(34.97) 60 Joesmithite PbCa2(Mg,Fe++,Fe+++)5Si6Be2O22(OH)2
3.330(26.75) 100 4.480(19.80) 67 3.870(22.96) 40 Orlovite KLi2TiSi4O11F
3.330(26.75) 100 1.934(46.94) 60 1.282(73.86) 40 Laurelite Pb7F12Cl2

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