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 67 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 4.59326 AND d1 < 4.78074)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
4.600(19.28) 100 2.900(30.81) 80 1.870(48.65) 30 Holfertite U++++++1.75TiCa0.25 O7.5(H2O)3
4.600(19.28) 100 3.210(27.77) 90 4.290(20.69) 80 Rutherfordine UO2(CO3)
4.600(19.28) 100 3.300(27.00) 77 3.200(27.86) 76 Sborgite NaB5O6(OH)4•3(H2O)
4.600(19.28) 100 1.870(48.65) 80 1.747(52.32) 30 Holfertite U++++++1.75TiCa0.25 O7.5(H2O)3
4.610(19.24) 100 8.000(11.05) 90 2.408(37.31) 80 Pharmacosiderite KFe+++4(AsO4)3(OH)4•6-7(H2O)
4.613(19.22) 100 3.390(26.27) 60 4.580(19.36) 50 Gilmarite Cu3(AsO4)(OH)3
4.620(19.20) 100 1.306(72.29) 100 16.000(5.52) 100 Perlialite K8Tl4Al12Si24O72•20(H2O)
4.620(19.20) 100 3.360(26.51) 100 2.340(38.44) 80 Bottinoite NiSb+++++2(OH)12•6(H2O)
4.620(19.20)
-
5.770(15.34)
-
5.820(15.21)
-
Rubicline (Rb,K)AlSi3O8
4.620(19.20) 100 3.830(23.20) 90 3.260(27.33) 85 Ohmilite Sr3(Ti,Fe+++)(Si2O6)2(O,OH)•2-3(H2O)
4.620(19.20) 100 2.640(33.93) 50 2.360(38.10) 20 Feitknechtite beta-Mn+++O(OH)
4.625(19.17) 100 2.944(30.34) 100 2.857(31.28) 100 Thomsonite-Ca NaCa2Al5Si5O20•6(H2O)
4.627(19.17) 100 2.673(33.50) 60 3.439(25.89) 40 Xocomecatlite Cu3Te++++++O4(OH)4
4.636(19.13) 100 3.392(26.25) 70 4.946(17.92) 50 Brandholzite Mg[Sb(OH)6]2•6(H2O)
4.639(19.12) 100 8.022(11.02) 92 4.967(17.84) 68 Cejkaite Na4(UO2)(CO3)3
4.640(19.11) 100 4.790(18.51) 100 2.270(39.67) 50 Felsobanyaite Al4(SO4)(OH)10•5(H2O)
4.640(19.11) 100 3.151(28.30) 100 2.925(30.54) 100 Amblygonite (Li,Na)Al(PO4)(F,OH)
4.647(19.08) 100 3.245(27.46) 100 2.724(32.85) 70 Mawbyite Pb(Fe+++Zn)2(AsO4)2(OH,H2O)2
4.660(19.03) 100 2.480(36.19) 60 2.660(33.67) 60 Woodruffite (Zn,Mn++)2Mn++++5O12•4(H2O)
4.660(19.03) 100 4.560(19.45) 80 2.770(32.29) 80 Mounanaite PbFe+++2(VO4)2(OH)2
4.660(19.03) 100 2.660(33.67) 60 2.480(36.19) 60 Woodruffite (Zn,Mn++)2Mn++++5O12•4(H2O)
4.660(19.03) 100 3.470(25.65) 100 2.640(33.93) 70 Coffinite U(SiO4)1-x(OH)4x
4.660(19.03) 100 2.770(32.29) 80 4.560(19.45) 80 Mounanaite PbFe+++2(VO4)2(OH)2
4.660(19.03) 100 2.922(30.57) 80 3.268(27.27) 40 Brewsterite-Sr (Sr,Ba)Al4Si12O32•10(H2O)
4.660(19.03) 100 2.922(30.57) 80 3.268(27.27) 40 Brewsterite-Ba (Ba,Sr)Al2Si6O16•5(H2O)
4.665(19.01) 100 3.310(26.91) 90 2.214(40.72) 80 Akatoreite (Mn++,Fe++)9Al2Si8O24(OH)8
4.670(18.99) 100 5.500(16.10) 100 5.100(17.37) 80 Pascoite Ca3V10O28•17(H2O)
4.672(18.98) 100 3.150(28.31) 100 3.413(26.09) 90 Tancoite HNa2LiAl(PO4)2(OH)
4.680(18.95) 100 3.380(26.35) 90 9.390(9.41) 70 Kratochvilite (C6H4)2CH2
4.687(18.92) 100 4.337(20.46) 80 10.120(8.73) 70 Metavauxite Fe++Al2(PO4)2(OH)2•8(H2O)
4.688(18.91) 100 3.273(27.22) 88 2.865(31.19) 70 Thometzekite Pb(Cu,Zn)2(AsO4)2•2(H2O)
4.689(18.91) 100 2.447(36.70) 75 2.344(38.37) 45 Nitrobarite Ba(NO3)2
4.690(18.91) 100 3.260(27.33) 100 2.028(44.65) 90 Yttrotungstite-(Y) YW2O6(OH)3
4.690(18.91) 30 4.280(20.74) 20 2.981(29.95) 100 Pautovite CsFe2S3
4.699(18.87) 100 3.322(26.81) 50 2.865(31.19) 40 Orthominasragrite VO(SO4)•5(H2O)
4.699(18.87) 100 2.349(38.28) 70 2.877(31.06) 65 Hieratite K2SiF6
4.700(18.87) 100 3.830(23.20) 50 2.450(36.65) 50 Doloresite H8V++++6O16
4.700(18.87) 100 2.921(30.58) 100 2.887(30.95) 100 Larderellite (NH4)B5O6(OH)4
4.700(18.87) 100 2.450(36.65) 50 3.830(23.20) 50 Doloresite H8V++++6O16
4.704(18.85) 100 3.343(26.64) 47 3.539(25.14) 45 Lunijianlaite LiAl6(Si7Al)O20(OH)10
4.706(18.84) 100 3.505(25.39) 100 4.767(18.60) 100 Acuminite SrAlF4(OH)•(H2O)
4.710(18.83) 100 2.330(38.61) 100 3.980(22.32) 90 Donbassite Al2[Al2.33][Si3AlO10](OH)8
4.714(18.81) 100 3.143(28.37) 70 9.428(9.37) 68 Lithiophorite (Al,Li)Mn++++O2(OH)2
4.720(18.78) 100 3.052(29.24) 80 6.441(13.74) 70 Kinoite Ca2Cu2Si3O8(OH)4
4.720(18.78) 100 2.562(34.99) 100 2.489(36.06) 100 Cornubite Cu5(AsO4)2(OH)4
4.725(18.76) 100 3.086(28.91) 75 2.999(29.77) 75 Wardite NaAl3(PO4)2(OH)4•2(H2O)
4.725(18.76) 100 2.999(29.77) 75 3.086(28.91) 75 Wardite NaAl3(PO4)2(OH)4•2(H2O)
4.730(18.74) 100 4.800(18.47) 100 4.840(18.31) 100 Millisite (Na,K)CaAl6(PO4)4(OH)9•3(H2O)
4.730(18.74) 100 3.710(23.97) 85 3.990(22.26) 60 Chalcanthite CuSO4•5(H2O)
4.730(18.74) 100 4.840(18.31) 100 4.800(18.47) 100 Millisite (Na,K)CaAl6(PO4)4(OH)9•3(H2O)
4.732(18.74) 100 3.342(26.65) 100 3.024(29.51) 70 Dwornikite (Ni,Fe++)SO4•(H2O)
4.733(18.73) 100 4.386(20.23) 100 2.662(33.64) 100 Flinkite Mn++2Mn+++(AsO4)(OH)4
4.734(18.73) 100 3.941(22.54) 90 1.922(47.25) 50 Jacquesdietrichite Cu2[BO(OH)2](OH)3
4.734(18.73) 100 1.922(47.25) 90 2.489(36.06) 50 Jacquesdietrichite Cu2[BO(OH)2](OH)3
4.740(18.70) 70 2.250(40.04) 70 1.819(50.11) 70 Fullerite C60
4.740(18.70) 70 1.819(50.11) 70 2.250(40.04) 70 Fullerite C60
4.740(18.70) 70 2.250(40.04) 70 2.290(39.31) 70 Fullerite C60
4.758(18.63) 100 2.705(33.09) 95 4.227(21.00) 65 Metavariscite AlPO4•2(H2O)
4.760(18.63) 100 3.090(28.87) 80 9.090(9.72) 60 Kleemanite ZnAl2(PO4)2(OH)2•3(H2O)
4.760(18.63)
-
7.710(11.47)
-
11.000(8.03)
-
Karpinskite (Mg,Ni)2Si2O5(OH)2 (?)
4.767(18.60) 100 4.706(18.84) 100 3.505(25.39) 100 Acuminite SrAlF4(OH)•(H2O)
4.770(18.59) 100 3.270(27.25) 100 6.390(13.85) 75 Pitiglianoite Na6K2Si6Al6O24(SO4)•2(H2O)
4.770(18.59) 100 6.390(13.85) 80 3.180(28.04) 70 Mangangordonite (Mn++,Fe++,Mg)Al2(PO4)2(OH)2•8(H2O)
4.780(18.55) 100 2.390(37.60) 40 2.260(39.86) 40 Nordstrandite Al(OH)3
4.780(18.55) 100 2.260(39.86) 40 2.390(37.60) 40 Nordstrandite Al(OH)3
4.780(18.55) 100 3.748(23.72) 80 4.072(21.81) 80 Derriksite Cu4(UO2)(SeO3)2(OH)6
4.780(18.55) 100 4.072(21.81) 80 3.748(23.72) 80 Derriksite Cu4(UO2)(SeO3)2(OH)6

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