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 61 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 6.664 AND d1 < 6.936)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
6.670(13.26) 100 2.691(33.27) 70 2.948(30.29) 70 Pakhomovskyite Co3(PO4)2•8(H2O)
6.670(13.26) 100 2.948(30.29) 70 3.195(27.90) 70 Pakhomovskyite Co3(PO4)2•8(H2O)
6.670(13.26) 100 2.948(30.29) 70 2.691(33.27) 70 Pakhomovskyite Co3(PO4)2•8(H2O)
6.680(13.24) 100 5.910(14.98) 80 3.006(29.70) 70 Tinsleyite KAl2(PO4)2(OH)•2(H2O)
6.692(13.22) 100 2.712(33.00) 50 3.005(29.71) 50 Hornesite Mg3(AsO4)2•8(H2O)
6.692(13.22) 100 3.005(29.71) 50 2.712(33.00) 50 Hornesite Mg3(AsO4)2•8(H2O)
6.700(13.20) 100 3.680(24.16) 80 3.720(23.90) 80 Gebhardite Pb8(As+++2O5)2OCl6
6.700(13.20) 100 8.610(10.27) 80 4.160(21.34) 60 Bijvoetite-(Y) (Y,REE)8(H2O)25(UO2)16O8(OH)8(CO3)16•14(H2O)
6.700(13.20) 100 3.720(23.90) 80 3.680(24.16) 80 Gebhardite Pb8(As+++2O5)2OCl6
6.703(13.20) 100 3.224(27.65) 35 7.954(11.11) 27 Kottigite Zn3(AsO4)2•8(H2O)
6.710(13.18) 100 8.590(10.29) 40 4.860(18.24) 40 Metavivianite (Fe++3-x,Fe+++x)(PO4)2(OH)x•8-x(H2O), x=0.5
6.710(13.18) 100 2.920(30.59) 100 4.700(18.87) 80 Natroboltwoodite (H3O)(Na,K)(UO2)SiO4•(H2O)
6.710(13.18) 100 3.356(26.54) 92 5.360(16.53) 85 Hungchaoite MgB4O5(OH)4•7(H2O)
6.710(13.18) 100 4.860(18.24) 40 8.590(10.29) 40 Metavivianite (Fe++3-x,Fe+++x)(PO4)2(OH)x•8-x(H2O), x=0.5
6.710(13.18) 100 2.699(33.16) 70 2.956(30.21) 60 Baricite (Mg,Fe++)3(PO4)2•8(H2O)
6.720(13.16) 100 3.003(29.73) 47 3.227(27.62) 42 Erythrite Co3(AsO4)2•8(H2O)
6.730(13.14) 100 3.720(23.90) 90 4.160(21.34) 60 Astrocyanite-(Ce) Cu2(Ce,Nd,La)2(UO2)(CO3)5(OH)2•1.5(H2O)
6.750(13.11) 100 3.025(29.50) 50 8.057(10.97) 30 Parasymplesite Fe++3(AsO4)2•8(H2O)
6.780(13.05) 100 2.610(34.33) 80 3.680(24.16) 70 Aurichalcite (Zn,Cu)5(CO3)2(OH)6
6.790(13.03) 100 7.500(11.79) 16 8.970(9.85) 16 Symplesite Fe++3(AsO4)2•8(H2O)
6.790(13.03) 100 5.990(14.78) 90 3.050(29.26) 45 Spheniscidite (NH4,K)(Fe+++,Al)2(PO4)2(OH)•2(H2O)
6.790(13.03) 100 3.390(26.27) 31 5.180(17.10) 9 Nobleite CaB6O9(OH)2•3(H2O)
6.790(13.03) 100 5.990(14.78) 70 3.061(29.15) 70 Leucophosphite KFe+++2(PO4)2(OH)•2(H2O)
6.790(13.03) 100 8.970(9.85) 16 7.500(11.79) 16 Symplesite Fe++3(AsO4)2•8(H2O)
6.790(13.03) 100 3.061(29.15) 70 5.990(14.78) 70 Leucophosphite KFe+++2(PO4)2(OH)•2(H2O)
6.800(13.01) 100 2.710(33.03) 67 2.970(30.06) 67 Vivianite Fe++3(PO4)2•8(H2O)
6.800(13.01) 100 2.970(30.06) 67 2.710(33.03) 67 Vivianite Fe++3(PO4)2•8(H2O)
6.810(12.99) 100 5.083(17.43) 80 2.239(40.25) 80 Paraotwayite Ni(OH)2-x(SO4,CO3)0.5x x=.5
6.810(12.99) 100 8.680(10.18) 90 5.400(16.40) 90 Liebigite Ca2(UO2)(CO3)3•11(H2O)
6.810(12.99) 100 2.239(40.25) 80 5.083(17.43) 80 Paraotwayite Ni(OH)2-x(SO4,CO3)0.5x x=.5
6.810(12.99) 100 5.400(16.40) 90 8.680(10.18) 90 Liebigite Ca2(UO2)(CO3)3•11(H2O)
6.810(12.99) 100 3.400(26.19) 90 2.950(30.27) 80 Boltwoodite HK(UO2)(SiO4)•1.5(H2O)
6.810(12.99) 100 2.849(31.37) 90 2.983(29.93) 80 Rouseite Pb2Mn++(As+++O3)2•2(H2O)
6.830(12.95) 100 4.330(20.49) 98 2.704(33.10) 51 Gravegliaite Mn++(SO3)•3(H2O)
6.840(12.93) 100 2.219(40.62) 30 4.010(22.15) 20 Ernienickelite NiMn++++3O7•3(H2O)
6.840(12.93) 100 5.670(15.62) 80 2.737(32.69) 60 Otwayite Ni2(CO3)(OH)2•(H2O)
6.870(12.88) 100 2.758(32.44) 80 2.707(33.06) 80 Gageite-2M (Mn,Mg,Zn)42Si16O54(OH)40
6.870(12.88) 100 2.758(32.44) 80 2.707(33.06) 80 Gageite (Mn,Mg,Zn)42Si16O54(OH)40
6.870(12.88) 100 2.560(35.02) 90 3.050(29.26) 80 Tsepinite-K (K,Ba,Na)2(Ti,Nb)2(Si4O12)(OH,O)2•3(H2O)
6.870(12.88) 100 2.707(33.06) 80 2.758(32.44) 80 Gageite-2M (Mn,Mg,Zn)42Si16O54(OH)40
6.870(12.88) 100 2.707(33.06) 80 2.758(32.44) 80 Gageite (Mn,Mg,Zn)42Si16O54(OH)40
6.900(12.82) 100 2.180(41.38) 65 3.610(24.64) 65 Minguzzite K3Fe+++(C2O4)3•3(H2O)
6.900(12.82) 100 3.380(26.35) 80 11.600(7.61) 80 Zorite Na6Ti5[Si12O34](O,OH)5•11(H2O)
6.900(12.82) 100 3.610(24.64) 65 2.180(41.38) 65 Minguzzite K3Fe+++(C2O4)3•3(H2O)
6.900(12.82) 100 11.600(7.61) 80 3.380(26.35) 80 Zorite Na6Ti5[Si12O34](O,OH)5•11(H2O)
6.909(12.80) 100 8.898(9.93) 40 3.926(22.63) 30 Metakottigite (Zn,Fe+++,Fe++)3(AsO4)2•8((H2O),OH)
6.910(12.80) 100 2.624(34.14) 80 2.310(38.96) 80 Gerhardtite Cu2(NO3)(OH)3
6.910(12.80) 100 3.190(27.95) 100 3.090(28.87) 100 Parakuzmenkoite-Fe (K,Ba)2Fe(Ti,Nb)4(Si4O12)2(O,OH)4•7(H2O)
6.910(12.80) 100 2.462(36.46) 90 2.669(33.55) 80 Rouaite Cu2(NO3)(OH)3
6.910(12.80) 100 2.310(38.96) 80 2.624(34.14) 80 Gerhardtite Cu2(NO3)(OH)3
6.910(12.80) 100 3.457(25.75) 90 2.462(36.46) 80 Rouaite Cu2(NO3)(OH)3
6.917(12.79) 100 2.843(31.44) 80 3.777(23.53) 70 Seamanite Mn3(PO4)B(OH)6
6.920(12.78) 100 4.150(21.39) 80 3.680(24.16) 70 Chalconatronite Na2Cu(CO3)2•3(H2O)
6.920(12.78) 100 3.447(25.83) 80 2.376(37.83) 35 Manandonite Li2Al4[(Si2AlB)O10](OH)8
6.920(12.78) 100 2.023(44.76) 98 3.596(24.74) 55 Yarlongite (Cr4Fe4Ni)C4
6.921(12.78) 100 5.870(15.08) 90 3.532(25.19) 28 Hoganite Cu(CH3COO)2•H2O
6.930(12.76) 100 3.210(27.77) 100 3.110(28.68) 90 Neskevaaraite-Fe NaK3Fe(Ti,Nb)4(Si4O12)2(O,OH)4•6(H2O)
6.930(12.76) 100 3.320(26.83) 90 4.380(20.26) 60 Caysichite-(Y) Y2(Ca,Gd)2Si4O10(CO3)3(H2O,O,OH)•3H20
6.931(12.76) 100 3.091(28.86) 38 3.079(28.98) 38 Ezcurrite Na4B10O17•7(H2O)
6.931(12.76) 100 3.079(28.98) 38 3.091(28.86) 38 Ezcurrite Na4B10O17•7(H2O)
6.935(12.75) 100 5.342(16.58) 71 4.556(19.47) 41 Erdite NaFeS2•2(H2O)

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