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 64 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 9.0944 AND d1 < 9.4656)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
9.095(9.72) 100 2.915(30.64) 92 3.972(22.36) 76 Alflarsenite NaCa2Be3Si4O13(OH)•2H2O
9.100(9.71) 100 4.054(21.91) 100 3.028(29.47) 80 Barrerite (Na,K,Ca)2Al2Si7O18•6(H2O)
9.100(9.71) 100 3.794(23.43) 50 4.695(18.89) 36 Metazellerite Ca(UO2)(CO3)2•3(H2O)
9.100(9.71) 100 3.450(25.80) 80 3.480(25.58) 65 Kingite Al3(PO4)2(F,OH)2•8(H2O,OH)
9.100(9.71) 100 3.319(26.84) 90 6.640(13.32) 65 Nekoite Ca3Si6O15•7(H2O)
9.120(9.69) 100 2.807(31.85) 35 6.620(13.36) 20 Probertite NaCaB5O7(OH)4•3(H2O)
9.120(9.69) 100 5.036(17.60) 100 3.852(23.07) 100 Sieleckiite Cu3Al4(PO4)2(OH)12•2(H2O)
9.130(9.68) 100 3.046(29.30) 80 7.090(12.47) 26 Pseudojohannite Cu6.5[(UO2)4O4(SO4)2]2(OH)5•25H2O
9.130(9.68) 100 4.566(19.42) 80 3.046(29.30) 26 Pseudojohannite Cu6.5[(UO2)4O4(SO4)2]2(OH)5•25H2O
9.140(9.67) 100 9.340(9.46) 100 4.760(18.63) 27 Chistyakovaite-(Y) Al(UO2)2(AsO4)2(F,OH)•6.5H2O
9.140(9.67) 100 4.420(20.07) 60 4.556(19.47) 60 Haiweeite Ca[(UO2)2Si5O12(OH)2]•3(H2O)
9.140(9.67) 100 3.340(26.67) 80 3.840(23.14) 80 Abernathyite K(UO2)(AsO4)•4(H2O)
9.140(9.67) 100 3.840(23.14) 80 3.340(26.67) 80 Abernathyite K(UO2)(AsO4)•4(H2O)
9.140(9.67) 100 4.556(19.47) 60 4.420(20.07) 60 Haiweeite Ca[(UO2)2Si5O12(OH)2]•3(H2O)
9.150(9.66) 100 2.810(31.82) 50 4.600(19.28) 40 Jahnsite-(CaMnFe) CaMn++Fe++2Fe+++2(PO4)4(OH)2•8(H2O)
9.160(9.65) 100 2.920(30.59) 80 2.840(31.47) 80 Inesite Ca2Mn7Si10O28(OH)2•5(H2O)
9.160(9.65) 100 2.840(31.47) 80 2.920(30.59) 80 Inesite Ca2Mn7Si10O28(OH)2•5(H2O)
9.160(9.65) 100 2.907(30.73) 60 2.804(31.89) 50 Willhendersonite KCaAl3Si3O12•5(H2O)
9.177(9.63) 100 4.588(19.33) 32 3.059(29.17) 15 Lemanskiite NaCaCu5(AsO4)4Cl•5H2O
9.180(9.63) 100 7.910(11.18) 80 3.250(27.42) 65 Howieite Na(Fe++,Mn++)10(Fe,Al)2Si12O31(OH)13
9.183(9.62) 100 1.074(91.65) 21 3.256(27.37) 16 Menezesite Ba2MgZr4(BaNb12O42)•12H2O
9.200(9.61) 100 9.600(9.20) 100 3.900(22.78) 70 Bukovskyite Fe+++2(AsO4)(SO4)(OH)•7(H2O)
9.200(9.61) 100 5.580(15.87) 80 18.100(4.88) 80 Aluminocopiapite Al2/3Fe+++4(SO4)6O(OH)2•20(H2O)
9.200(9.61) 100 5.060(17.51) 60 5.410(16.37) 50 Sinkankasite H2MnAl(PO4)2(OH)•6(H2O)
9.200(9.61) 100 18.100(4.88) 80 5.580(15.87) 80 Aluminocopiapite Al2/3Fe+++4(SO4)6O(OH)2•20(H2O)
9.218(9.59) 100 2.819(31.72) 70 2.593(34.56) 25 Jahnsite-(NaFeMg) NaFe+++Mg2Fe+++2(PO4)4(OH)2•8H2O
9.218(9.59) 100 2.593(34.56) 70 2.973(30.03) 25 Jahnsite-(NaFeMg) NaFe+++Mg2Fe+++2(PO4)4(OH)2•8H2O
9.230(9.57) 100 18.400(4.80) 100 5.570(15.90) 70 Copiapite Fe++Fe+++4(SO4)6(OH)2•20(H2O)
9.250(9.55) 100 6.120(14.46) 80 3.560(24.99) 60 Zincocopiapite ZnFe+++4(SO4)6(OH)2•18(H2O)
9.270(9.53) 100 2.280(39.49) 25 3.860(23.02) 20 Uramarsite (NH4,H3O)2(UO2)2(AsO4,PO4)2•6H2O
9.270(9.53) 100 2.439(36.82) 80 3.690(24.10) 70 Shabynite Mg5(BO3)Cl2(OH)5•4(H2O)
9.270(9.53) 100 2.781(32.16) 80 2.941(30.37) 70 Whiteite-(CaFeMg) Ca(Fe++,Mn++)Mg2Al2(PO4)4(OH)2•8(H2O)
9.270(9.53) 100 2.825(31.65) 80 4.910(18.05) 60 Jahnsite-(CaMnMg) CaMnMg2Fe+++2(PO4)4(OH)2•8(H2O)
9.270(9.53) 100 4.850(18.28) 25 2.280(39.49) 20 Uramarsite (NH4,H3O)2(UO2)2(AsO4,PO4)2•6H2O
9.280(9.52) 100 3.451(25.79) 80 3.094(28.83) 80 IMA2009-008 Y2[(UO2)8O6(SO4)4(OH)2]•26H2O
9.280(9.52) 100 4.642(19.10) 50 2.834(31.54) 35 Jahnsite-(CaFeFe) (Ca,Mn)(Fe++,Mn++)Fe++2Fe+++2(PO4)4(OH)2•8(H2O)
9.280(9.52) 100 3.094(28.83) 80 3.451(25.79) 80 IMA2009-008 Y2[(UO2)8O6(SO4)4(OH)2]•26H2O
9.290(9.51) 100 18.570(4.75) 90 5.600(15.81) 80 Magnesiocopiapite MgFe+++4(SO4)6(OH)2•20(H2O)
9.290(9.51) 100 4.640(19.11) 90 4.260(20.83) 80 Sarmientite Fe+++2(AsO4)(SO4)(OH)•5(H2O)
9.300(9.50) 100 6.280(14.09) 90 4.890(18.13) 60 Levinsonite-(Y) (Y,Nd,La)Al(SO4)2(C2O4)•12(H2O)
9.300(9.50) 100 2.860(31.25) 70 1.720(53.21) 60 Englishite K3Na2Ca10Al15(PO4)21(OH)7•26(H2O)
9.310(9.49) 100 2.790(32.05) 80 4.850(18.28) 50 Whiteite-(CaMnMg) CaMn++Mg2Al2(PO4)4(OH)2•8(H2O)
9.320(9.48) 100 2.950(30.27) 90 4.820(18.39) 50 Whiteite-(MnFeMg) (Mn++,Ca)(Fe++,Mn++)Mg2Al2(PO4)4(OH)2•8(H2O)
9.320(9.48) 100 2.780(32.17) 90 2.950(30.27) 50 Whiteite-(MnFeMg) (Mn++,Ca)(Fe++,Mn++)Mg2Al2(PO4)4(OH)2•8(H2O)
9.340(9.46) 100 7.090(12.47) 50 3.547(25.09) 40 Janggunite Mn++++5-x(Mn++,Fe+++)1+xO8(OH)6, x = 0,2
9.340(9.46) 100 9.140(9.67) 100 4.760(18.63) 27 Chistyakovaite-(Y) Al(UO2)2(AsO4)2(F,OH)•6.5H2O
9.349(9.45) 100 3.206(27.80) 40 3.107(28.71) 30 Meurigite-Na [Na(H2O)2.5][Fe+++8(PO4)6(OH)7(H2O)4]
9.350(9.45) 100 1.530(60.46) 55 4.590(19.32) 45 Talc Mg3Si4O10(OH)2
9.380(9.42) 100 2.840(31.47) 90 2.600(34.47) 80 Kaluginite (Mn++,Ca)MgFe+++(PO4)2(OH)•4(H2O)
9.380(9.42) 100 2.802(31.91) 80 4.690(18.91) 50 Rittmannite Mn++Mn++Fe++Al2(OH)2(PO4)4•8(H2O)
9.380(9.42) 100 2.491(36.03) 80 4.590(19.32) 70 Micheelsenite (Ca,Y)3Al[PO3OH,CO3](CO3)(OH)6•12(H2O)
9.390(9.41) 100 2.860(31.25) 90 4.700(18.87) 50 Manganosegelerite (Mn,Ca)(Mn,Fe++,Mg)Fe+++(PO4)2(OH)•4(H2O)
9.400(9.40) 100 4.680(18.95) 80 3.680(24.16) 70 Basaluminite Al4(SO4)(OH)10•5(H2O)
9.400(9.40) 100 2.870(31.14) 80 4.704(18.85) 30 Jahnsite-(CaMnMn) CaMn++Mn++2Fe+++2(PO4)4(OH)2•8(H2O)
9.400(9.40) 100 3.120(28.59) 28 2.503(35.85) 23 Willemseite (Ni,Mg)3Si4O10(OH)2
9.400(9.40) 100 3.501(25.42) 55 2.332(38.58) 30 Spencerite Zn4(PO4)2(OH)2•3(H2O)
9.410(9.39) 100 3.413(26.09) 55 3.813(23.31) 40 Kidwellite Na(Fe+++,Cu)9+x(PO4)6(OH)11•3(H2O)
9.430(9.37) 100 3.474(25.62) 80 3.366(26.46) 60 Threadgoldite Al(UO2)2(PO4)2(OH)•8(H2O)
9.433(9.37) 100 2.896(30.85) 50 3.010(29.65) 30 Goldquarryite (Cu,[ ])(Cd,Ca)2Al3(PO4)4F2(H2O)10{(H2O,F)}2
9.433(9.37) 100 2.818(31.73) 50 2.896(30.85) 30 Goldquarryite (Cu,[ ])(Cd,Ca)2Al3(PO4)4F2(H2O)10{(H2O,F)}2
9.434(9.37) 100 4.028(22.05) 13 4.941(17.94) 11 Ravatite C14H10
9.450(9.35) 100 3.113(28.65) 36 4.700(18.87) 16 Hendersonite Ca1.3V6O16•6(H2O)
9.460(9.34) 100 5.560(15.93) 100 5.030(17.62) 100 Chabazite-Na (Na2,K2,Ca,Mg)[Al2Si4O12]•6(H2O)
9.460(9.34) 100 5.560(15.93) 100 5.030(17.62) 100 Chabazite-K (K2,Ca,Na2,Mg)[Al2Si4O12]•6(H2O)

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