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 451 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.1654 AND d1 < 3.2946)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.166(28.16) 100 2.979(29.97) 60 3.104(28.74) 53 Perloffite Ba(Mn,Fe++)2Fe+++2(PO4)3(OH)3
3.167(28.15) 100 4.874(18.19) 90 2.503(35.85) 90 Sewardite CaFe+++2(AsO4)2(OH)2
3.167(28.15) 100 4.751(18.66) 60 2.818(31.73) 60 Embreyite Pb5(CrO4)2(PO4)2•(H2O)
3.167(28.15) 100 3.093(28.84) 100 1.659(55.33) 70 Howardevansite NaCu++Fe+++2(VO4)3
3.167(28.15) 100 3.082(28.95) 90 5.063(17.50) 60 Carlfriesite CaTe++++2Te++++++O8
3.167(28.15) 100 2.872(31.11) 85 2.494(35.98) 50 Enstatite Mg2Si2O6
3.167(28.15) 100 1.939(46.81) 70 1.662(55.22) 50 Cernyite Cu2CdSnS4
3.167(28.15) 100 2.818(31.73) 60 4.751(18.66) 60 Embreyite Pb5(CrO4)2(PO4)2•(H2O)
3.167(28.15) 100 2.503(35.85) 90 4.874(18.19) 90 Sewardite CaFe+++2(AsO4)2(OH)2
3.168(28.14) 100 2.575(34.81) 90 2.414(37.22) 75 Plimerite ZnFe+++4(PO4)3(OH)5
3.168(28.14) 100 1.922(47.25) 47 2.957(30.20) 43 Apuanite Fe++Fe+++4Sb+++4O12S
3.169(28.14) 100 2.585(34.67) 58 6.950(12.73) 56 Labuntsovite-Fe Na4K4(Ba,K)2(Fe,Mg,Mn)1+xTi8(Si4O12)4(O,OH)8•10(H2O)
3.170(28.13) 100 1.858(48.99) 100 2.018(44.88) 40 Argentopentlandite Ag(Fe,Ni)8S8
3.170(28.13) 100 2.450(36.65) 90 1.659(55.33) 90 Orthobrannerite U++++U++++++Ti4O12(OH)2
3.170(28.13) 100 1.728(52.94) 85 1.695(54.06) 85 Thorutite (Th,U,Ca)Ti2(O,OH)6
3.170(28.13) 100 3.040(29.36) 100 3.290(27.08) 70 Sarkinite Mn++2(AsO4)(OH)
3.170(28.13) 100 2.855(31.30) 80 2.659(33.68) 80 Reyerite (Na,K)4Ca14Si22Al2O58(OH)8•6(H2O)
3.170(28.13) 100 4.290(20.69) 95 4.040(21.98) 95 Loweite Na12Mg7(SO4)13•15(H2O)
3.170(28.13) 100 3.140(28.40) 100 2.710(33.03) 100 Chevkinite-(Ce) (Ce,La,Ca,Th)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22
3.170(28.13) 100 2.240(40.23) 100 1.819(50.11) 100 Argentite Ag2S
3.170(28.13) 100 9.770(9.04) 100 1.485(62.49) 100 Brammallite (Na,H3O)(Al,Mg,Fe)2(Si,Al)4O10[(OH)2,(H2O)]
3.170(28.13) 100 7.000(12.64) 90 6.330(13.98) 80 Kuzmenkoite-Mn (K,Na)2(Mn,Fe)(Ti,Nb)4[Si4O12]2(OH)4•5(H2O)
3.170(28.13) 100 4.496(19.73) 72 1.614(57.01) 41 Gottlobite CaMg(VO4,AsO4)(OH)
3.170(28.13) 100 1.659(55.33) 90 2.450(36.65) 90 Orthobrannerite U++++U++++++Ti4O12(OH)2
3.170(28.13) 100 6.340(13.96) 100 3.020(29.55) 80 Messelite Ca2(Fe++,Mn)(PO4)2•2(H2O)
3.170(28.13) 100 1.610(57.17) 90 3.320(26.83) 80 Mackayite Fe+++Te2O5(OH)
3.170(28.13) 100 1.941(46.76) 80 1.671(54.90) 40 Velikite Cu2HgSnS4
3.170(28.13) 100 2.659(33.68) 80 2.855(31.30) 80 Reyerite (Na,K)4Ca14Si22Al2O58(OH)8•6(H2O)
3.170(28.13) 100 3.660(24.30) 90 3.590(24.78) 80 Aikinite PbCuBiS3
3.170(28.13) 100 2.788(32.08) 67 9.501(9.30) 53 Skorpionite Ca3Zn2(PO4)2CO3(OH)2•H2O
3.170(28.13) 100 3.010(29.65) 60 2.830(31.59) 50 Larsenite PbZnSiO4
3.170(28.13) 100 3.099(28.78) 35 3.210(27.77) 32 Plumbotellurite PbTe++++O3
3.170(28.13) 100 4.040(21.98) 95 4.290(20.69) 95 Loweite Na12Mg7(SO4)13•15(H2O)
3.170(28.13) 100 1.695(54.06) 85 1.728(52.94) 85 Thorutite (Th,U,Ca)Ti2(O,OH)6
3.171(28.12) 100 2.801(31.92) 100 2.637(33.97) 100 Austinite CaZn(AsO4)(OH)
3.173(28.10) 100 7.361(12.01) 100 2.918(30.61) 80 Luddenite Pb2Cu2Si5O14•14(H2O)
3.174(28.09) 100 2.107(42.89) 94 3.682(24.15) 80 Sokolovaite CsLi2AlSi4O10F2
3.174(28.09) 100 2.918(30.61) 38 1.730(52.88) 21 Paramelaconite Cu+2Cu++2O3
3.174(28.09) 100 3.149(28.32) 100 12.364(7.14) 90 Natrokomarovite Na6CaNb6[Si4O12F2•4(H2O)
3.175(28.08) 100 3.093(28.84) 57 3.083(28.94) 55 Labuntsovite-Mg Na4K4(Ba,K)(Mg,Fe)1+xTi8(Si4O12)4(O,OH)8•10(H2O)
3.175(28.08) 100 2.938(30.40) 100 3.398(26.20) 100 Ferrilotharmeyerite Ca(Zn,Cu++)(Fe+++,Zn)(AsO4)2(OH,H2O)2
3.175(28.08) 100 1.658(55.37) 45 1.944(46.69) 44 Walfordite (Fe+++,Te++++++)Te++++3O8
3.176(28.07) 100 3.752(23.69) 30 3.211(27.76) 30 Albite NaAlSi3O8
3.176(28.07) 100 3.211(27.76) 30 3.752(23.69) 30 Albite NaAlSi3O8
3.179(28.04) 100 3.424(26.00) 71 5.045(17.56) 60 IMA2008-056 NaMn++Fe+++5(PO4)4(OH)6•2H2O
3.180(28.04) 100 3.690(24.10) 70 4.081(21.76) 30 Friedrichbeckeite K([ ],Na)Mg2(Be2Mg)Si12O30
3.180(28.04) 100 2.885(30.97) 70 3.690(24.10) 30 Friedrichbeckeite K([ ],Na)Mg2(Be2Mg)Si12O30
3.180(28.04) 100 3.760(23.64) 70 3.210(27.77) 70 Labradorite (Ca,Na)(Si,Al)4O8
3.180(28.04) 100 1.952(46.48) 100 1.671(54.90) 50 Mgriite (Cu,Fe)3AsSe3
3.180(28.04) 100 3.210(27.77) 70 3.760(23.64) 70 Labradorite (Ca,Na)(Si,Al)4O8
3.180(28.04) 100 4.020(22.09) 90 3.800(23.39) 80 Orthoclase KAlSi3O8
3.180(28.04) 100 1.908(47.62) 35 2.517(35.64) 25 Margarite CaAl2(Al2Si2)O10(OH)2
3.180(28.04) 100 2.724(32.85) 80 4.250(20.88) 70 Phosphoferrite (Fe++,Mn)3(PO4)2•3(H2O)
3.180(28.04) 100 4.010(22.15) 80 2.490(36.04) 40 Liandratite U++++++(Nb,Ta)2O8
3.180(28.04) 100 3.140(28.40) 68 4.470(19.85) 57 Munakataite Pb2Cu2(Se++++O3)(SO4)(OH)4
3.180(28.04) 100 1.635(56.21) 80 1.490(62.26) 60 Queitite Pb4Zn2(SiO4)(Si2O7)(SO4)
3.180(28.04) 100 1.380(67.86) 75 3.350(26.59) 65 Kyanite Al2SiO5 = Al[6]Al[6]OSiO4
3.180(28.04) 100 1.265(75.02) 80 1.949(46.56) 70 Tveitite-(Y) Ca1-xYxF2+x, x~0.3
3.180(28.04) 100 7.120(12.42) 90 7.080(12.49) 90 Merlinoite (K,Ca,Na,Ba)7Si23Al9O64•23(H2O)
3.180(28.04) 100 2.896(30.85) 60 4.030(22.04) 10 Donpeacorite (Mn,Mg)MgSi2O6
3.180(28.04) 100 7.080(12.49) 90 7.120(12.42) 90 Merlinoite (K,Ca,Na,Ba)7Si23Al9O64•23(H2O)
3.181(28.03) 100 2.858(31.27) 58 1.714(53.41) 32 Bobdownsite Ca9Mg(PO3F)(PO4)6
3.181(28.03) 100 6.050(14.63) 30 5.910(14.98) 20 Sassolite H3BO3
3.182(28.02) 100 5.880(15.05) 65 11.900(7.42) 58 Paravinogradovite (Na,[ ])2(Ti,Fe+++)4(Si2O6)2(Si3AlO10)(OH)4•H2O
3.182(28.02) 100 2.555(35.09) 100 2.718(32.93) 80 Manganlotharmeyerite Ca(Mn+++,Mg,)2(AsO4)2(OH,H2O)2
3.182(28.02) 100 3.484(25.55) 71 9.077(9.74) 60 Direnzoite NaK6MgCa2(Al13Si47O120)•36H2O
3.183(28.01) 100 3.540(25.14) 90 2.898(30.83) 80 Barberiite (NH4)BF4
3.185(27.99) 100 2.941(30.37) 100 3.824(23.24) 94 Mazzite-Mg K2CaMg2(Al,Si)36O72•28(H2O)
3.186(27.98) 100 8.560(10.33) 75 3.301(26.99) 75 Richterite Na(CaNa)(Mg,Fe++)5[Si8O22](OH)2
3.186(27.98) 100 2.738(32.68) 62 3.910(22.72) 44 Bussenite Na2(Ba,Sr)2(Fe,Mn)TiSi2O7(CO3)(OH)3F
3.186(27.98) 100 3.301(26.99) 75 8.560(10.33) 75 Richterite Na(CaNa)(Mg,Fe++)5[Si8O22](OH)2
3.186(27.98) 100 3.100(28.77) 96 6.940(12.74) 61 Lemmleinite-K NaK2(Ti,Nb)2Si4O12(O,OH)2•2(H2O)
3.186(27.98) 100 9.600(9.20) 60 3.517(25.30) 45 Neptunite KNa2Li(Fe++,Mn)2Ti2Si8O24
3.187(27.97) 100 2.788(32.08) 90 6.204(14.26) 80 IMA2008-054 NaCaMn2(PO4)[PO3(OH)]2
3.187(27.97) 100 1.951(46.51) 90 1.665(55.11) 80 Chameanite (Cu,Fe)4As(Se,S)4
3.187(27.97) 100 2.726(32.83) 90 2.788(32.08) 80 IMA2008-054 NaCaMn2(PO4)[PO3(OH)]2
3.188(27.96) 100 3.135(28.45) 95 3.247(27.45) 87 Petitjeanite Bi+++3(PO4)2O(OH)
3.189(27.96) 100 3.132(28.47) 100 2.058(43.96) 80 Schlemaite (Cu,[ ])6(Pb,Bi)Se4
3.190(27.95) 100 2.460(36.49) 90 2.220(40.60) 90 Redledgeite BaTi6Cr+++2O16•(H2O)
3.190(27.95) 100 2.490(36.04) 93 2.940(30.38) 90 Watatsumiite Na2KMn2LiV2Si8O24
3.190(27.95) 100 2.220(40.60) 90 2.460(36.49) 90 Redledgeite BaTi6Cr+++2O16•(H2O)
3.190(27.95) 100 2.000(45.30) 80 2.050(44.14) 80 Fluocerite-(Ce) (Ce,La)F3
3.190(27.95) 100 1.961(46.26) 70 1.653(55.55) 50 Bambollaite Cu(Se,Te)2
3.190(27.95) 100 1.655(55.48) 55 2.730(32.78) 40 Chrombismite Bi16CrO27
3.190(27.95) 100 1.048(94.61) 70 2.070(43.69) 60 Fluocerite-(La) (La,Ce)F3
3.190(27.95) 100 2.070(43.69) 100 3.500(25.43) 100 Banalsite BaNa2Al4Si4O16
3.190(27.95) 100 3.090(28.87) 100 6.910(12.80) 100 Parakuzmenkoite-Fe (K,Ba)2Fe(Ti,Nb)4(Si4O12)2(O,OH)4•7(H2O)
3.190(27.95) 100 2.640(33.93) 80 6.640(13.32) 50 Fairchildite K2Ca(CO3)2
3.190(27.95) 100 3.090(28.87) 91 6.920(12.78) 75 Kuzmenkoite-Zn K2Zn(Ti,Nb)4(Si4O12)2(OH,O)4•6-8(H2O)
3.190(27.95) 100 2.163(41.72) 100 1.516(61.07) 100 Babefphite BaBe(PO4)(F,O)
3.190(27.95) 100 2.050(44.14) 80 2.000(45.30) 80 Fluocerite-(Ce) (Ce,La)F3
3.190(27.95) 100 4.610(19.24) 67 3.610(24.64) 40 Cancrinite Na6Ca2Al6Si6O24(CO3)2
3.190(27.95) 100 4.390(20.21) 65 2.677(33.45) 60 Onoratoite Sb8O11Cl2
3.190(27.95) 100 4.140(21.45) 60 2.361(38.08) 40 Olmiite CaMn[SiO3(OH)](OH)
3.190(27.95) 100 2.890(30.92) 100 4.080(21.76) 90 Sogdianite (K,Na)2(Li,Fe+++,Al)3ZrSi12O30
3.190(27.95) 100 3.650(24.37) 90 1.989(45.57) 70 Guanajuatite Bi2Se3
3.190(27.95) 100 3.340(26.67) 73 4.370(20.30) 67 Mutnovskite Pb2AsS3(I,Cl,Br)
3.190(27.95) 100 3.020(29.55) 100 2.630(34.06) 100 Isokite CaMg(PO4)F
3.191(27.94) 100 3.381(26.34) 85 3.615(24.61) 40 Frondelite Mn++Fe+++4(PO4)3(OH)5
3.191(27.94) 100 2.695(33.22) 18 1.947(46.61) 18 Kusachiite CuBi2O4

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