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 94 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 8.4672 AND d1 < 8.8128)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
8.470(10.44) 100 3.255(27.38) 73 4.746(18.68) 65 Lanthanite-(Ce) (Ce,La)2(CO3)3•8(H2O)
8.470(10.44) 100 3.610(24.64) 85 2.110(42.82) 70 Meta-autunite Ca(UO2)2(PO4)2•2-6(H2O)
8.470(10.44) 100 3.790(23.45) 30 2.990(29.86) 20 Koninckite Fe+++PO4•3(H2O) (?)
8.470(10.44) 100 2.990(29.86) 30 3.850(23.08) 20 Koninckite Fe+++PO4•3(H2O) (?)
8.474(10.43) 100 6.005(14.74) 24 3.605(24.68) 9 Hydrochlorborite Ca2B4O4(OH)7Cl•7(H2O)
8.480(10.42) 100 4.096(21.68) 55 3.037(29.39) 55 Indialite Mg2Al4Si5O18
8.480(10.42) 100 3.037(29.39) 55 4.096(21.68) 55 Indialite Mg2Al4Si5O18
8.480(10.42) 100 2.714(32.98) 52 3.284(27.13) 40 Potassic-magnesiohastingsite (K,Na)Ca2(Mg,Fe++,Fe+++,Al)5(Si,Al)8O22(OH,Cl)2
8.490(10.41) 100 6.010(14.73) 90 3.073(29.03) 70 Metavanmeersscheite U++++++(UO2)3(PO4)2(OH)6•2(H2O)
8.500(10.40) 100 4.250(20.88) 91 4.180(21.24) 23 Chalcoalumite CuAl4(SO4)(OH)12•3(H2O)
8.500(10.40) 100 3.252(27.40) 63 3.038(29.38) 58 Lanthanite-(Nd) (Nd,La)2(CO3)3•8(H2O)
8.500(10.40) 100 3.150(28.31) 80 2.718(32.93) 60 Ferropargasite NaCa2(Fe++4Al)Si6Al2O22(OH)2
8.500(10.40) 100 2.354(38.20) 40 4.248(20.89) 33 Zincowoodwardite-3R [Zn1BxAlx(OH)2][(SO4)x/2•n(H2O)], 0.32 < x < 0.50, n = 0.59
8.510(10.39) 100 2.620(34.20) 25 3.140(28.40) 18 Simplotite CaV++++4O9•5(H2O)
8.510(10.39) 100 4.220(21.03) 80 3.260(27.33) 60 Metatyuyamunite Ca(UO2)2V2O8•3(H2O)
8.512(10.38) 100 3.153(28.28) 67 2.827(31.62) 31 Kozulite NaNa2Mn++4(Fe+++,Al)Si8O22(OH)2
8.520(10.37) 100 3.665(24.26) 90 3.547(25.09) 90 Karchevskyite [Mg18Al9(OH)54][Sr2(CO3,PO4)9(H2O,H3O)11]
8.520(10.37) 100 3.570(24.92) 90 2.140(42.19) 60 Metanovacekite Mg(UO2)2(AsO4)2•4-8(H2O)
8.520(10.37) 100 3.547(25.09) 90 3.665(24.26) 90 Karchevskyite [Mg18Al9(OH)54][Sr2(CO3,PO4)9(H2O,H3O)11]
8.520(10.37) 100 3.159(28.23) 90 2.728(32.80) 75 Ferrohornblende [ ]Ca2[Fe++4(Al,Fe+++)]Si7AlO22(OH)2
8.520(10.37) 100 3.221(27.67) 90 3.721(23.89) 60 Rollandite Cu3(AsO4)2•4(H2O)
8.520(10.37) 100 3.420(26.03) 70 3.100(28.77) 60 Hydrodresserite BaAl2(CO3)2(OH)4•3(H2O)
8.530(10.36) 100 3.160(28.22) 51 2.749(32.54) 23 Potassic-chlorohastingsite (K,Na)Ca2(Fe++,Mg)4Fe+++[Si6Al2O22](Cl,OH)2
8.530(10.36) 100 3.160(28.22) 51 2.749(32.54) 23 Chloro-potassichastingsite KCa2(Fe++3MgFe+++)(Si6Al2)S8O22Cl2
8.530(10.36) 100 3.184(28.00) 40 9.020(9.80) 28 Potassicarfvedsonite KNa2Fe++4Fe+++Si8O22(OH)2
8.543(10.35) 100 7.877(11.22) 20 1.997(45.38) 20 Nickelalumite (Ni,Cu)Al4[(SO4),(NO3)2](OH)12•3(H2O)
8.543(10.35) 100 1.997(45.38) 20 7.877(11.22) 20 Nickelalumite (Ni,Cu)Al4[(SO4),(NO3)2](OH)12•3(H2O)
8.550(10.34) 100 4.270(20.79) 40 7.870(11.23) 15 Mbobomkulite (Ni,Cu)Al4(NO3,SO4)2(OH)12•3(H2O)
8.550(10.34) 100 3.710(23.97) 100 5.410(16.37) 90 Metaheinrichite Ba(UO2)2(AsO4)2•8(H2O)
8.550(10.34) 100 2.772(32.27) 70 4.110(21.60) 60 Fontanite Ca[(UO2)3(CO3)2O2]•6(H2O)
8.550(10.34) 100 2.585(34.67) 60 7.128(12.41) 40 Metaswitzerite Mn3(PO4)2•4(H2O)
8.550(10.34) 100 3.560(24.99) 100 5.070(17.48) 60 Metakirchheimerite Co(UO2)2(AsO4)2•8(H2O)
8.550(10.34) 100 2.804(31.89) 80 4.158(21.35) 50 Parascholzite CaZn2(PO4)2•2(H2O)
8.558(10.33) 50 8.107(10.90) 25 4.044(21.96) 100 Knasibfite K3Na4[SiF6]3[BF4]
8.560(10.33) 100 6.070(14.58) 80 4.250(20.88) 80 Arsenovanmeersscheite U(OH)4[(UO2)3(AsO4)2(OH)2]•4H2O
8.560(10.33) 100 6.070(14.58) 80 12.210(7.23) 80 Arsenovanmeersscheite U(OH)4[(UO2)3(AsO4)2(OH)2]•4H2O
8.560(10.33) 100 10.310(8.57) 33 2.849(31.37) 33 Bakhchisaraitsevite Na2Mg5(PO4)4•7(H2O)
8.560(10.33) 100 4.250(20.88) 80 6.070(14.58) 80 Arsenovanmeersscheite U(OH)4[(UO2)3(AsO4)2(OH)2]•4H2O
8.560(10.33) 100 6.620(13.36) 70 9.030(9.79) 60 Ruitenbergite Ca9B26O34(OH)24Cl4•13(H2O)
8.560(10.33) 100 3.500(25.43) 80 2.230(40.41) 70 Lehnerite Mn[UO2/PO4]2•8(H2O)
8.560(10.33) 100 2.849(31.37) 33 10.310(8.57) 33 Bakhchisaraitsevite Na2Mg5(PO4)4•7(H2O)
8.570(10.31) 100 2.979(29.97) 91 3.718(23.91) 79 Yoshiokaite (Ca8-(x/2)[ ](x/2)Al16-xSixO32)
8.571(10.31) 100 7.270(12.16) 40 8.872(9.96) 30 Magnesiopascoite Ca2Mg[V10O28]•16H2O
8.580(10.30) 100 2.728(32.80) 40 3.157(28.24) 35 Ferro-actinolite [ ]Ca2Fe++5Si8O22(OH)2
8.580(10.30) 100 2.739(32.67) 70 3.180(28.04) 65 Ferrorichterite Na(CaNa)Fe++5[Si8O22](OH)2
8.583(10.30) 100 3.386(26.30) 100 3.376(26.38) 100 Sekaninaite (Fe++,Mg)2Al4Si5O18
8.588(10.29) 100 2.788(32.08) 90 4.230(20.98) 70 Scholzite CaZn2(PO4)2•2(H2O)
8.590(10.29) 100 3.590(24.78) 80 5.340(16.59) 80 Machatschkiite Ca6(AsO4)(AsO3OH)3(PO4,SO4)•15(H2O)
8.590(10.29) 100 5.340(16.59) 80 3.590(24.78) 80 Machatschkiite Ca6(AsO4)(AsO3OH)3(PO4,SO4)•15(H2O)
8.590(10.29) 100 3.790(23.45) 90 3.300(27.00) 80 Trogerite H2(UO2)2(AsO4)2•8(H2O)
8.600(10.28) 100 4.270(20.79) 100 1.998(45.35) 95 Kirgyzstanite ZnAl4(SO4)(OH)12•3(H2O)
8.609(10.27) 100 3.076(29.00) 66 3.246(27.45) 49 Chesterite (Mg,Fe++)17Si20O54(OH)6
8.616(10.26) 100 2.216(40.68) 96 3.482(25.56) 76 Bassetite Fe++(UO2)2(PO4)2•8(H2O)
8.625(10.25) 100 3.568(24.93) 50 5.044(17.57) 29 Metarauchite Ni(UO2)2(AsO4)2•8H2O
8.630(10.24) 100 2.740(32.65) 60 5.610(15.78) 50 Robertsite Ca6Mn+++9(PO4)9O6(H2O)6•3(H2O)
8.638(10.23) 100 6.617(13.37) 29 2.868(31.16) 24 Tuzlaite NaCaB508(0H)2•3(H2O)
8.640(10.23) 100 4.320(20.54) 80 1.430(65.18) 80 Scarbroite Al5(CO3)(OH)13•5(H2O)
8.640(10.23) 100 2.721(32.89) 70 5.550(15.96) 60 Mitridatite Ca2Fe+++3(PO4)3O2•3(H2O)
8.640(10.23) 100 1.430(65.18) 80 4.320(20.54) 80 Scarbroite Al5(CO3)(OH)13•5(H2O)
8.650(10.22) 100 3.570(24.92) 100 3.310(26.91) 90 Metauranospinite Ca(UO2)2(AsO4)2•8(H2O)
8.650(10.22) 100 3.570(24.92) 100 3.310(26.91) 90 Metauranopilite (UO2)6(SO4)(OH)10•5(H2O)
8.660(10.21) 100 2.833(31.55) 90 2.996(29.80) 90 Jaffeite Ca4(Si3O7)(OH)6
8.660(10.21) 100 2.996(29.80) 90 2.833(31.55) 90 Jaffeite Ca4(Si3O7)(OH)6
8.670(10.19) 100 8.420(10.50) 100 3.220(27.68) 60 Wavellite Al3(PO4)2(OH,F)3•5(H2O)
8.670(10.19) 100 4.760(18.63) 80 4.320(20.54) 80 Swamboite U++++++H6(UO2)6(SiO4)6•30(H2O)
8.670(10.19) 100 4.320(20.54) 80 4.760(18.63) 80 Swamboite U++++++H6(UO2)6(SiO4)6•30(H2O)
8.682(10.18) 100 3.093(28.84) 100 2.936(30.42) 100 Barringtonite MgCO3•2(H2O)
8.690(10.17) 100 2.884(30.98) 60 5.660(15.64) 60 Pararobertsite Ca2Mn+++3(PO4)3O2•3(H2O)
8.690(10.17) 100 11.300(7.82) 100 3.570(24.92) 80 Amarantite Fe+++(SO4)(OH)•3(H2O)
8.690(10.17) 100 5.660(15.64) 60 2.884(30.98) 60 Pararobertsite Ca2Mn+++3(PO4)3O2•3(H2O)
8.700(10.16) 100 12.600(7.01) 100 9.650(9.16) 80 Voglite Ca2Cu(UO2)(CO3)4•6(H2O)
8.700(10.16) 100 1.776(51.41) 100 3.070(29.06) 90 Vozhminite (Ni,Co)4(As,Sb)S2
8.710(10.15) 100 3.680(24.16) 100 3.480(25.58) 80 Metatorbernite Cu(UO2)2(PO4)2•8(H2O)
8.715(10.14) 100 4.063(21.86) 50 5.772(15.34) 50 Mcallisterite Mg2B12O14(OH)12•9(H2O)
8.715(10.14) 100 5.772(15.34) 50 4.063(21.86) 50 Mcallisterite Mg2B12O14(OH)12•9(H2O)
8.720(10.14) 100 2.640(33.93) 90 9.360(9.44) 70 Synadelphite (Mn,Mg,Ca,Pb)9(As+++O3)(As+++++O4)2(OH)9•2(H2O) (?)
8.730(10.12) 100 2.853(31.33) 90 7.200(12.28) 70 Oursinite (Co,Mg)(H3O)2[(UO2)SiO4]2•3(H2O)
8.730(10.12) 100 3.630(24.50) 90 1.840(49.50) 80 Natrobetpakdalite (Na,Ca)3Fe+++2(As2Mo6O28)•15(H2O)
8.740(10.11) 100 9.000(9.82) 100 4.470(19.85) 50 Hydroscarbroite Al14(CO3)3(OH)36•n(H2O)
8.740(10.11) 100 3.610(24.64) 30 12.400(7.12) 18 Grantsite Na4CaxV++++2xV+++++12-2xO32•8(H2O)
8.752(10.10) 100 2.748(32.56) 70 3.531(25.20) 40 Quetzalcoatlite Zn8Cu4(TeO3)3(OH)18
8.760(10.09) 100 5.500(16.10) 100 7.310(12.10) 90 Swartzite CaMg(UO2)(CO3)3•12(H2O)
8.760(10.09) 100 4.390(20.21) 100 1.996(45.40) 70 Bazhenovite CaS5•CaS2O3•6Ca(OH)2•20(H2O)
8.770(10.08) 100 2.800(31.94) 50 2.920(30.59) 40 Dittmarite (NH4)Mg(PO4)•(H2O)
8.780(10.07) 100 17.500(5.05) 100 3.270(27.25) 25 Clairite (NH4)2Fe+++3(SO4)4(OH)3•3(H2O)
8.790(10.05) 100 6.450(13.72) 90 3.220(27.68) 80 Fervanite Fe+++4(VO4)4•5(H2O)
8.796(10.05) 100 2.934(30.44) 75 2.202(40.95) 55 Sailaufite Ca2Mn3O2(AsO4)2(CO3)•3(H2O)
8.809(10.03) 100 13.600(6.49) 73 3.083(28.94) 60 Clinojimthompsonite (Mg,Fe++)5Si6O16(OH)2
8.810(10.03) 100 10.900(8.10) 90 2.940(30.38) 90 Ludlockite-(Pb) PbFe+++4As+++10O22
8.810(10.03) 100 11.510(7.67) 56 9.560(9.24) 31 Mendozavilite (Na,Mg)Ca2[Mo++++++8P+++++2Fe+++3O36(OH)]•n(H2O), n~9
8.810(10.03) 100 2.940(30.38) 90 2.860(31.25) 70 Ludlockite (Fe++,Pb)As+++++2O6
8.810(10.03) 100 2.940(30.38) 90 10.900(8.10) 90 Ludlockite-(Pb) PbFe+++4As+++10O22
8.810(10.03) 100 2.860(31.25) 90 3.160(28.22) 70 Ludlockite (Fe++,Pb)As+++++2O6
8.812(10.03) 100 13.600(6.49) 57 3.092(28.85) 53 Jimthompsonite (Mg,Fe++)5Si6O16(OH)2

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