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 93 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.4206 AND d1 < 2.5194)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.422(37.09) 100 2.856(31.29) 80 1.426(65.39) 50 Ferrotaaffeite-6N3S (Fe++,Zn,Mg)2Al6BeO12
2.422(37.09) 100 4.450(19.94) 82 2.573(34.84) 65 Hydroxylborite Mg3(BO3)(OH,F)3
2.423(37.07) 100 2.246(40.11) 90 1.371(68.37) 80 Atheneite (Pd,Hg)3As
2.423(37.07) 100 2.846(31.41) 90 1.414(66.02) 50 Magnesionigerite-2N1S (Mg,Zn,Fe+++,Al)4(Sn,Fe+++)2Al10O22(OH)2
2.423(37.07) 100 2.846(31.41) 90 1.414(66.02) 50 Magnesionigerite-6N6S (Mg,Zn,Fe+++,Al)4(Sn,Fe+++)2Al10O22(OH)2
2.426(37.02) 100 2.891(30.91) 85 2.813(31.78) 80 Selenojalpaite Ag3CuSe2
2.427(37.01) 100 2.603(34.43) 88 1.430(65.18) 56 Ferrohogbomite-2N2S (Fe++,Zn,Mg,Al)6Al14(Ti,Fe)2O30(OH)2
2.430(36.96) 100 2.600(34.47) 50 1.430(65.18) 50 Magnesiohogbomite-2N2S (Al,Fe++,Fe+++,Mg,Ti,Zn)11O15(OH)
2.430(36.96) 100 2.050(44.14) 80 1.428(65.29) 80 Magnesiotaaffeite-2N2S Mg3Al8BeO16
2.430(36.96) 100 1.436(64.88) 80 1.978(45.84) 60 Magnesiohogbomite-2N3S (Mg,Fe++)1.4Ti0.3Al4O8
2.430(36.96) 100 8.270(10.69) 100 3.240(27.51) 100 Calclacite Ca[Cl2/CH3COO]•10(H2O)
2.430(36.96) 100 3.469(25.66) 90 2.744(32.61) 85 Liebenbergite (Ni,Mg)2SiO4
2.430(36.96) 100 3.240(27.51) 100 8.270(10.69) 100 Calclacite Ca[Cl2/CH3COO]•10(H2O)
2.430(36.96) 100 2.880(31.03) 50 1.480(62.73) 40 Aguilarite Ag4SeS
2.430(36.96) 100 2.240(40.23) 50 1.838(49.55) 30 Palladodymite (Pd,Rh)2As
2.430(36.96) 100 1.428(65.29) 80 2.050(44.14) 80 Magnesiotaaffeite-2N2S Mg3Al8BeO16
2.430(36.96) 100 1.426(65.39) 80 1.436(64.88) 60 Magnesiohogbomite-2N3S (Mg,Fe++)1.4Ti0.3Al4O8
2.430(36.96) 100 1.430(65.18) 50 2.600(34.47) 50 Magnesiohogbomite-2N2S (Al,Fe++,Fe+++,Mg,Ti,Zn)11O15(OH)
2.435(36.88) 100 1.990(45.55) 100 1.420(65.70) 60 Surinamite (Mg,Fe++)3Al4BeSi3O16
2.435(36.88) 6 6.160(14.37) 10 1.984(45.69) 25 Horomanite Fe6Ni3S8
2.435(36.88) 100 1.869(48.68) 90 5.710(15.51) 80 Dayingite CuCoPtS4
2.436(36.87) 100 2.021(44.81) 70 1.429(65.24) 60 Spinel MgAl2O4
2.438(36.84) 100 3.722(23.89) 90 3.475(25.61) 50 Holtedahlite Mg12(PO3OH,CO3)(PO4)5(OH,O)6
2.438(36.84) 100 2.861(31.24) 84 1.429(65.24) 43 Gahnite ZnAl2O4
2.440(36.80) 100 11.500(7.68) 100 4.300(20.64) 100 Ilmajokite (Na,Ce,La,Ba)2TiSi3O5(OH)10•n(H2O) (?)
2.440(36.80) 100 1.900(47.83) 100 1.672(54.86) 100 Malyshevite PdCuBiS3
2.440(36.80) 100 2.870(31.14) 60 1.434(64.98) 60 Magnesiohogbomite-6N6S (Mg,Fe++)1.4Ti0.3Al4O8
2.440(36.80) 100 4.300(20.64) 100 11.500(7.68) 100 Ilmajokite (Na,Ce,La,Ba)2TiSi3O5(OH)10•n(H2O) (?)
2.440(36.80) 100 1.434(64.98) 60 2.870(31.14) 60 Magnesiohogbomite-6N6S (Mg,Fe++)1.4Ti0.3Al4O8
2.445(36.73) 100 2.011(45.04) 85 2.010(45.07) 61 Khmaralite (Mg,Al,Fe)16(Al,Si,Be)12O40
2.445(36.73) 100 9.600(9.20) 100 4.820(18.39) 100 Asbolane (Co,Ni)1-y(Mn++++O2)2-x(OH)2-2y+2x•n(H2O)
2.445(36.73) 100 4.820(18.39) 100 9.600(9.20) 100 Asbolane (Co,Ni)1-y(Mn++++O2)2-x(OH)2-2y+2x•n(H2O)
2.447(36.70) 100 1.434(64.98) 58 2.028(44.65) 58 Ringwoodite Mg2SiO4
2.447(36.70) 100 2.028(44.65) 58 1.434(64.98) 58 Ringwoodite Mg2SiO4
2.448(36.68) 100 2.952(30.25) 100 4.370(20.30) 70 Purpurite Mn+++PO4
2.450(36.65) 100 2.250(40.04) 60 1.970(46.03) 60 Ferrihydrite Fe+++2O3•0.5(H2O)
2.450(36.65) 100 2.040(44.37) 70 1.440(64.68) 60 Wadsleyite (Mg,Fe++)2SiO4
2.450(36.65) 100 2.680(33.41) 100 1.806(50.49) 90 Penroseite (Ni,Co,Cu)Se2
2.450(36.65) 100 4.900(18.09) 90 2.970(30.06) 90 Adamite Zn2(AsO4)(OH)
2.450(36.65) 100 4.720(18.78) 90 1.826(49.90) 60 Pyrochroite Mn(OH)2
2.450(36.65) 100 2.970(30.06) 90 4.900(18.09) 90 Adamite Zn2(AsO4)(OH)
2.450(36.65) 100 1.970(46.03) 60 2.250(40.04) 60 Ferrihydrite Fe+++2O3•0.5(H2O)
2.452(36.62) 100 4.310(20.59) 90 3.460(25.73) 85 Heterosite Fe+++PO4
2.453(36.60) 100 2.589(34.62) 50 2.743(32.62) 90 Fluorvesuvianite Ca19(Al,Mg)13[SiO4]10[Si2O7]4(F,OH)10
2.456(36.56) 100 1.720(53.21) 100 4.230(20.98) 100 Hisingerite Fe+++2Si2O5(OH)4•2(H2O)
2.458(36.53) 100 3.883(22.88) 70 2.512(35.71) 70 Forsterite Mg2SiO4
2.458(36.53) 100 2.512(35.71) 70 3.883(22.88) 70 Forsterite Mg2SiO4
2.458(36.53) 100 2.929(30.49) 58 3.388(26.28) 56 Clinobarylite BaBe2Si2O7
2.460(36.49) 100 1.441(64.63) 42 1.569(58.80) 36 Hercynite Fe++Al2O4
2.460(36.49) 100 2.620(34.20) 100 2.950(30.27) 100 Gaudefroyite Ca4Mn+++3-x(BO3)3(CO3)(O,OH)3
2.460(36.49) 100 2.950(30.27) 100 2.620(34.20) 100 Gaudefroyite Ca4Mn+++3-x(BO3)3(CO3)(O,OH)3
2.462(36.46) 100 2.707(33.06) 90 3.040(29.36) 80 Hetaerolite ZnMn+++2O4
2.465(36.42) 100 2.135(42.30) 37 1.510(61.34) 27 Cuprite Cu2O
2.470(36.34) 100 2.660(33.67) 80 3.020(29.55) 70 Hydrohetaerolite Zn2Mn+++4O8•(H2O)
2.470(36.34) 100 1.646(55.81) 45 2.850(31.36) 40 Mcconnellite CuCrO2
2.472(36.31) 100 2.260(39.86) 90 2.022(44.79) 60 Oulankaite (Pd,Pt)5(Cu,Fe)4SnTe2S2
2.473(36.30) 100 2.840(31.47) 80 3.520(25.28) 70 Satterlyite (Fe++,Mg)2(PO4)(OH)
2.476(36.25) 100 2.816(31.75) 71 2.602(34.44) 56 Zincite (Zn,Mn)O
2.477(36.24) 100 2.626(34.11) 100 2.429(36.98) 80 Menshikovite Pd3Ni2As3
2.480(36.19) 100 1.450(64.18) 100 2.043(44.30) 90 Bityite CaLiAl2(AlBeSi2)O10(OH)2
2.480(36.19) 100 4.300(20.64) 90 2.930(30.48) 80 Simferite Li(Mg,Fe+++,Mn+++)2(PO4)2
2.480(36.19) 100 1.755(52.07) 100 3.000(29.76) 80 Trustedtite Ni3Se4
2.480(36.19) 100 4.020(22.09) 100 2.760(32.41) 90 Chkalovite Na2BeSi2O6
2.480(36.19) 100 2.690(33.28) 100 8.000(11.05) 80 Northupite Na3Mg(CO3)2Cl
2.485(36.12) 100 1.506(61.52) 100 1.483(62.58) 90 Manganoneptunite KNa2Li(Mn,Fe++)2Ti2Si8O24
2.489(36.06) 100 4.720(18.78) 100 2.562(34.99) 100 Cornubite Cu5(AsO4)2(OH)4
2.489(36.06) 100 2.562(34.99) 100 4.720(18.78) 100 Cornubite Cu5(AsO4)2(OH)4
2.490(36.04) 100 3.336(26.70) 100 4.800(18.47) 80 Parakhinite Cu++3PbTe++++++O4(OH)6
2.490(36.04) 100 2.770(32.29) 90 1.544(59.85) 80 Hausmannite Mn++Mn+++2O4
2.490(36.04) 100 1.466(63.39) 70 1.593(57.83) 60 Magnesiochromite MgCr2O4
2.491(36.03) 100 3.451(25.79) 90 4.866(18.22) 80 Khinite PbCu++3Te++++++O6(OH)2
2.492(36.01) 100 2.921(30.58) 60 1.460(63.69) 45 Galaxite (Mn,Mg)(Al,Fe+++)2O4
2.494(35.98) 100 2.628(34.09) 59 2.890(30.92) 50 Eucairite CuAgSe
2.500(35.89) 100 1.900(47.83) 100 2.600(34.47) 100 Hastite CoSe2
2.500(35.89) 100 2.950(30.27) 90 2.550(35.16) 70 Furutobeite (Cu,Ag)6PbS4
2.500(35.89) 100 2.070(43.69) 80 2.930(30.48) 60 Coulsonite Fe++V+++2O4
2.501(35.88) 100 2.655(33.73) 90 2.893(30.88) 80 Krinovite NaMg2CrSi3O10
2.501(35.88) 100 4.520(19.62) 85 14.200(6.22) 80 Sudoite Mg2(Al,Fe+++)3Si3AlO10(OH)8
2.505(35.82) 100 2.648(33.82) 80 2.812(31.80) 60 Hibonite (Ca,Ce)(Al,Ti,Mg)12O19
2.508(35.77) 100 1.512(61.25) 40 2.860(31.25) 35 Delafossite Cu+Fe+++O2
2.510(35.74) 100 2.650(33.80) 90 2.570(34.88) 80 Pirssonite Na2Ca(CO3)2•2(H2O)
2.510(35.74) 100 2.700(33.15) 90 5.420(16.34) 80 Pinakiolite Mg2Mn+++O2(BO3)
2.510(35.74) 100 2.950(30.27) 55 1.472(63.11) 50 Nichromite (Ni,Co,Fe++)(Cr,Fe+++,Al)2O4
2.510(35.74) 100 3.260(27.33) 100 2.810(31.82) 60 Terlinguaite Hg+Hg++ClO
2.510(35.74) 100 6.000(14.75) 55 2.590(34.60) 45 Rinneite K3NaFe++Cl6
2.511(35.73) 94 1.878(48.43) 90 2.833(31.55) 44 Qusongite WC
2.512(35.71) 100 1.472(63.11) 45 2.947(30.30) 35 Cochromite (Co,Ni,Fe++)(Cr,Al)2O4
2.513(35.70) 100 1.476(62.92) 40 1.605(57.36) 30 Trevorite NiFe+++2O4
2.513(35.70) 100 3.421(26.02) 70 5.920(14.95) 60 Weinebeneite CaBe3(PO4)2(OH)2•5(H2O)
2.514(35.68) 100 2.548(35.19) 100 5.100(17.37) 50 Bonaccordite Ni2Fe+++BO5
2.517(35.64) 100 1.479(62.77) 60 2.960(30.17) 50 Cuprospinel (Cu,Mg)Fe+++2O4
2.518(35.63) 100 4.063(21.86) 80 2.983(29.93) 60 Terlinguacreekite Hg++3O2Cl2
2.519(35.61) 100 2.954(30.23) 50 1.476(62.92) 35 Zincochromite ZnCr2O4

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