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 73 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 9.408 AND d1 < 9.792)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
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 2.818(31.73) 50 2.896(30.85) 30 Goldquarryite (Cu,[ ])(Cd,Ca)2Al3(PO4)4F2(H2O)10{(H2O,F)}2
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
9.434(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-K (K2,Ca,Na2,Mg)[Al2Si4O12]•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)
9.470(9.33) 100 3.440(25.88) 80 4.740(18.70) 80 Marecottite Mg3(H2O)18[(UO2)4O3(SO4)2]2•10(H2O)
9.470(9.33) 100 4.740(18.70) 80 3.440(25.88) 80 Marecottite Mg3(H2O)18[(UO2)4O3(SO4)2]2•10(H2O)
9.480(9.32) 100 3.960(22.43) 90 2.783(32.14) 80 Greifensteinite Ca2Be4(Fe++,Mn)5(PO4)6(OH)4•6(H2O)
9.480(9.32) 100 2.783(32.14) 90 5.940(14.90) 80 Greifensteinite Ca2Be4(Fe++,Mn)5(PO4)6(OH)4•6(H2O)
9.480(9.32) 100 14.360(6.15) 100 7.380(11.98) 70 Paramendozavilite NaAl4Fe+++7(PO4)5(P+++++Mo++++++12O40)(OH)16•56(H2O)
9.490(9.31) 100 2.912(30.68) 44 2.890(30.92) 35 Juonniite CaMgSc(PO4)2(OH)•4(H2O)
9.490(9.31) 100 4.156(21.36) 60 6.860(12.89) 35 Laumontite CaAl2Si4O12•4(H2O)
9.500(9.30) 100 7.430(11.90) 100 3.960(22.43) 40 Karpatite C24H12
9.500(9.30) 100 3.130(28.49) 60 4.350(20.40) 50 Phosphofibrite KCuFe+++15(PO4)12(OH)12•12(H2O)
9.500(9.30) 100 9.310(9.49) 85 3.586(24.81) 39 IMA2000-020 Fe4[AsO3OH]5[AsO2(OH)2]2•20(H2O)
9.520(9.28) 100 9.860(8.96) 100 3.790(23.45) 80 Chelyabinskite (Ca,Mg)3Si(OH)6(SO4,CO3)2•9(H2O)
9.520(9.28) 100 2.660(33.67) 70 2.540(35.31) 60 Cassagnaite (Ca,Mn++)4(Fe+++,Mn+++,Al)4(OH)4(V+++,Mg,Al)2(O,OH)4(Si3O10)(SiO4)2
9.520(9.28) 100 2.540(35.31) 70 3.020(29.55) 60 Cassagnaite (Ca,Mn++)4(Fe+++,Mn+++,Al)4(OH)4(V+++,Mg,Al)2(O,OH)4(Si3O10)(SiO4)2
9.540(9.26) 100 4.790(18.51) 100 2.590(34.60) 100 Chalcophyllite Cu++18Al2(AsO4)3(SO4)3(OH)27•33(H2O)
9.540(9.26) 100 2.530(35.45) 70 3.180(28.04) 50 Minnesotaite (Fe++,Mg)3Si4O10(OH)2
9.540(9.26) 100 8.120(10.89) 40 4.560(19.45) 21 Canavesite Mg2(CO3)(HBO3)•5(H2O)
9.550(9.25) 100 4.008(22.16) 70 4.411(20.11) 50 IMA2008-046 MgZr(PO4)2•4H2O
9.550(9.25) 100 4.108(21.61) 70 4.008(22.16) 50 IMA2008-046 MgZr(PO4)2•4H2O
9.560(9.24) 100 5.510(16.07) 40 3.410(26.11) 20 Thaumasite Ca3Si(CO3)(SO4)(OH)6•12(H2O)
9.570(9.23) 100 5.530(16.01) 80 3.830(23.20) 80 Carraraite Ca3Ge(OH)6(SO4)(CO3 )•12H2 O
9.570(9.23) 100 3.830(23.20) 80 5.530(16.01) 80 Carraraite Ca3Ge(OH)6(SO4)(CO3 )•12H2 O
9.600(9.20) 100 4.820(18.39) 100 2.445(36.73) 100 Asbolane (Co,Ni)1-y(Mn++++O2)2-x(OH)2-2y+2x•n(H2O)
9.600(9.20) 100 5.530(16.01) 60 3.810(23.33) 60 Jouravskite Ca3Mn++++(SO4,CO3)2(OH)6•12(H2O)
9.600(9.20) 100 1.710(53.55) 100 4.300(20.64) 80 Sampleite NaCaCu5(PO4)4Cl•5(H2O)
9.600(9.20) 100 9.200(9.61) 100 3.900(22.78) 70 Bukovskyite Fe+++2(AsO4)(SO4)(OH)•7(H2O)
9.600(9.20) 100 3.684(24.14) 90 3.248(27.44) 90 Pahasapaite Li8(Ca,Li,K,Na)11Be24(PO4)24•38(H2O)
9.600(9.20) 100 3.040(29.36) 100 1.710(53.55) 80 Sampleite NaCaCu5(PO4)4Cl•5(H2O)
9.600(9.20) 100 3.248(27.44) 90 3.684(24.14) 90 Pahasapaite Li8(Ca,Li,K,Na)11Be24(PO4)24•38(H2O)
9.600(9.20) 100 3.810(23.33) 60 5.530(16.01) 60 Jouravskite Ca3Mn++++(SO4,CO3)2(OH)6•12(H2O)
9.600(9.20) 100 4.780(18.55) 45 3.190(27.95) 25 Zussmanite K(Fe++,Mg,Mn)13[AlSi17O42](OH)14
9.630(9.18) 100 2.050(44.14) 100 1.066(92.54) 100 Freboldite CoSe
9.630(9.18) 100 5.910(14.98) 46 2.178(41.42) 33 Meniaylovite Ca4AlSi(SO4)F13•12(H2O)
9.630(9.18) 100 3.039(29.37) 70 6.790(13.03) 40 Piypite K2Cu2(SO4)2O
9.638(9.17) 100 4.841(18.31) 100 2.747(32.57) 60 Utahite Cu5Zn3(Te++++++O4)4(OH)8•7(H2O)
9.640(9.17) 100 3.145(28.35) 50 4.460(19.89) 40 Calcioandyrobertsite-1M KCaCu5(AsO4)4[As(OH)2O2]•2(H2O)
9.640(9.17) 100 3.145(28.35) 50 4.460(19.89) 40 Andyrobertsite KCdCu5(AsO4)4[As(OH)2O2]•2(H2O)
9.650(9.16) 100 5.580(15.87) 80 3.210(27.77) 60 Ettringite Ca6Al2(SO4)3(OH)12•26(H2O)
9.656(9.15) 100 5.592(15.83) 40 1.942(46.74) 20 Bentorite Ca6(Cr,Al)2(SO4)3(OH)12•26(H2O)
9.660(9.15) 100 4.850(18.28) 50 5.590(15.84) 35 Zellerite Ca(UO2)(CO3)2•5(H2O)
9.670(9.14) 100 5.580(15.87) 70 3.890(22.84) 70 Sturmanite Ca6(Fe+++,Al,Mn++)2(SO4)2[B(OH)4](OH)12•25(H2O)
9.670(9.14) 100 3.890(22.84) 70 5.580(15.87) 70 Charlesite Ca6(Al,Si)2(SO4)2B(OH)4(OH,O)12•26(H2O)
9.670(9.14) 100 5.580(15.87) 70 3.890(22.84) 70 Charlesite Ca6(Al,Si)2(SO4)2B(OH)4(OH,O)12•26(H2O)
9.670(9.14) 100 3.890(22.84) 70 5.580(15.87) 70 Sturmanite Ca6(Fe+++,Al,Mn++)2(SO4)2[B(OH)4](OH)12•25(H2O)
9.680(9.13) 100 5.080(17.44) 65 4.810(18.43) 65 Bermanite Mn++Mn+++2(PO4)2(OH)2•4(H2O)
9.680(9.13) 100 4.810(18.43) 65 5.080(17.44) 65 Bermanite Mn++Mn+++2(PO4)2(OH)2•4(H2O)
9.680(9.13) 100 2.556(35.08) 90 2.793(32.02) 70 Coombsite K(Mn++,Fe++,Mg)13(Si,Al)18O42(OH)14
9.680(9.13) 100 4.800(18.47) 80 2.390(37.60) 40 Todorokite (Na,Ca,K)2(Mn++++,Mn+++)6O12•3-4.5(H2O)
9.690(9.12) 100 4.860(18.24) 90 3.470(25.65) 80 Sabugalite HAl(UO2)4(PO4)4•16(H2O)
9.690(9.12) 100 4.860(18.24) 90 6.460(13.70) 90 Sigloite Fe+++Al2(PO4)2(OH)3•5(H2O)
9.690(9.12) 100 6.460(13.70) 90 4.860(18.24) 90 Sigloite Fe+++Al2(PO4)2(OH)3•5(H2O)
9.700(9.11) 100 2.556(35.08) 80 2.326(38.68) 70 Leisingite Cu(Mg,Cu,Fe,Zn)2Te++++++O6•6(H2O)
9.700(9.11) 100 2.555(35.09) 80 5.920(14.95) 70 Chukhrovite-(Nd) Ca3(Nd,Y)Al2(SO4)F13•12(H2O)
9.700(9.11) 100 3.220(27.68) 80 2.555(35.09) 70 Chukhrovite-(Nd) Ca3(Nd,Y)Al2(SO4)F13•12(H2O)
9.700(9.11) 100 4.834(18.34) 80 2.556(35.08) 70 Leisingite Cu(Mg,Cu,Fe,Zn)2Te++++++O6•6(H2O)
9.704(9.11) 100 5.843(15.15) 100 3.139(28.41) 90 Dickthomssenite Mg(V+++++2O6)•7(H2O)
9.720(9.09) 100 6.670(13.26) 80 7.420(11.92) 70 Lasalite Na2Mg2(V10O28)•20H2O
9.750(9.06) 100 3.208(27.79) 90 3.047(29.29) 50 Tooeleite Fe+++6(AsO3)4(SO4)(OH)4•4H2O
9.750(9.06) 100 3.603(24.69) 100 3.816(23.29) 90 Amstallite CaAl(Si,Al)4O8(OH)4•((H2O),Cl)
9.750(9.06) 100 5.930(14.93) 80 3.220(27.68) 70 Chukhrovite-(Ce) Ca3(Ce,Y)Al2(SO4)F13•10(H2O)
9.750(9.06) 100 6.350(13.93) 30 9.240(9.56) 20 Mitryaevaite Al5[(PO4)2[(P,S)O3(OH,O)]2F2(OH)2(H2O)8•6.48(H2O)
9.770(9.04) 100 1.485(62.49) 100 3.170(28.13) 100 Brammallite (Na,H3O)(Al,Mg,Fe)2(Si,Al)4O10[(OH)2,(H2O)]
9.770(9.04) 100 3.110(28.68) 70 4.870(18.20) 50 Lavendulan NaCaCu5(AsO4)4Cl•5(H2O)
9.778(9.04) 100 3.426(25.99) 60 3.250(27.42) 60 Schieffelinite Pb(Te++++++,S)O4•(H2O)
9.778(9.04) 100 3.250(27.42) 60 3.426(25.99) 60 Schieffelinite Pb(Te++++++,S)O4•(H2O)
9.780(9.03) 100 3.170(28.13) 80 2.830(31.59) 70 Gordonite MgAl2(PO4)2(OH)2•8(H2O)

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