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 486 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.12228 AND d1 < 3.24972)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.123(28.56) 100 1.912(47.51) 51 1.633(56.29) 30 Sphalerite (Zn,Fe)S
3.123(28.56) 100 2.162(41.74) 40 2.804(31.89) 30 Paulkellerite Bi2Fe+++(PO4)O2(OH)2
3.123(28.56) 100 3.723(23.88) 100 2.641(33.91) 80 Magnesiochlorophoenicite (Mg,Mn)3Zn2(AsO4)(OH,O)6
3.124(28.55) 100 5.930(14.93) 80 5.840(15.16) 80 Gaidonnayite Na2ZrSi3O9•2(H2O)
3.124(28.55) 100 8.430(10.49) 40 3.269(27.26) 35 Pargasite NaCa2(Mg,Fe++)4Al(Si6Al2)O22(OH)2
3.124(28.55) 100 8.421(10.50) 61 3.271(27.24) 61 Fluoro-magnesiohastingsite (Na,K)Ca2(Mg,Fe+++,Ti)5(Si,Al)8O22F2
3.124(28.55) 100 5.840(15.16) 80 5.930(14.93) 80 Gaidonnayite Na2ZrSi3O9•2(H2O)
3.124(28.55) 100 1.913(47.49) 51 1.632(56.33) 44 Cerianite-(Ce) (Ce++++,Th)O2
3.124(28.55) 100 3.271(27.24) 61 8.421(10.50) 61 Fluoro-magnesiohastingsite (Na,K)Ca2(Mg,Fe+++,Ti)5(Si,Al)8O22F2
3.125(28.54) 100 3.140(28.40) 90 4.018(22.10) 40 Barytocalcite BaCa(CO3)2
3.125(28.54) 100 8.403(10.52) 60 3.271(27.24) 50 Fluoro-edenite NaCa2Mg5Si7AlO22(F,OH)2
3.128(28.51) 100 3.596(24.74) 70 3.071(29.05) 70 Kupcikite Cu3.4Fe0.6Bi5S10
3.128(28.51) 100 7.080(12.49) 100 3.485(25.54) 80 Agrinierite (K2,Ca,Sr)U3O10•4(H2O)
3.128(28.51) 100 3.071(29.05) 70 3.596(24.74) 70 Kupcikite Cu3.4Fe0.6Bi5S10
3.128(28.51) 100 1.918(47.36) 50 1.637(56.14) 30 Geerite Cu8S5
3.129(28.50) 100 8.420(10.50) 34 2.804(31.89) 28 Fluoro-magnesio-arfvedsonite NaNa2(Mg,Fe++)4Fe+++[Si8O22](F,OH)2
3.130(28.49) 100 1.570(58.76) 90 1.640(56.03) 70 Formanite-(Y) YTaO4
3.130(28.49) 100 1.862(48.87) 94 1.890(48.10) 29 Iwashiroite-(Y) YTaO4
3.130(28.49) 100 6.220(14.23) 80 2.660(33.67) 80 Glauberite Na2Ca(SO4)2
3.130(28.49) 100 8.540(10.35) 80 8.450(10.46) 80 Cordierite Mg2Al4Si5O18
3.130(28.49) 100 3.550(25.06) 60 2.960(30.17) 60 Stibiotantalite SbTaO4
3.130(28.49) 100 3.250(27.42) 80 1.822(50.02) 80 Phyllotungstite CaFe+++3H(WO4)6•10(H2O)
3.130(28.49) 100 1.915(47.44) 60 1.110(87.89) 60 Petrukite (Cu,Fe,Zn)2(Sn,In)S4
3.130(28.49) 100 5.640(15.70) 50 3.850(23.08) 50 Colemanite Ca2B6O11•5(H2O)
3.130(28.49) 100 3.110(28.68) 100 2.930(30.48) 45 Thortveitite (Sc,Y)2Si2O7
3.130(28.49) 100 2.850(31.36) 100 2.572(34.85) 80 Hingganite-(Yb) (Yb,Y)2([ ])Be2Si2O8(OH)2
3.130(28.49) 100 2.830(31.59) 100 2.560(35.02) 90 Gadolinite-(Y) Y2Fe++Be2Si2O10
3.130(28.49) 100 1.915(47.44) 60 1.106(88.29) 60 Petrukite (Cu,Fe,Zn)2(Sn,In)S4
3.130(28.49) 100 8.450(10.46) 80 8.540(10.35) 80 Cordierite Mg2Al4Si5O18
3.130(28.49) 100 1.110(87.89) 60 1.915(47.44) 60 Petrukite (Cu,Fe,Zn)2(Sn,In)S4
3.130(28.49) 100 1.822(50.02) 80 3.250(27.42) 80 Phyllotungstite CaFe+++3H(WO4)6•10(H2O)
3.130(28.49) 100 1.914(47.46) 80 1.640(56.03) 60 Kuramite Cu3SnS4
3.130(28.49) 100 1.919(47.33) 50 1.110(87.89) 40 Ferrokesterite Cu2(Fe,Zn)SnS4
3.130(28.49) 100 1.919(47.33) 50 1.634(56.25) 40 Rudashevskyite (Fe,Zn)S
3.130(28.49) 100 1.920(47.30) 70 2.720(32.90) 20 Mohite Cu2SnS3
3.130(28.49) 100 2.660(33.67) 80 6.220(14.23) 80 Glauberite Na2Ca(SO4)2
3.130(28.49) 100 2.880(31.03) 60 3.640(24.43) 50 Alumotantite AlTaO4
3.130(28.49) 100 2.930(30.48) 90 1.570(58.76) 70 Formanite-(Y) YTaO4
3.130(28.49) 100 2.947(30.30) 30 1.735(52.71) 20 Stibiocolumbite SbNbO4
3.130(28.49) 100 6.260(14.14) 100 10.290(8.59) 90 Benyacarite (H2O,K)2Ti(Mn++,Fe++)2(Fe+++,Ti)2Ti(PO4)4(O,F)2•14(H2O)
3.130(28.49) 100 3.850(23.08) 50 5.640(15.70) 50 Colemanite Ca2B6O11•5(H2O)
3.130(28.49) 100 3.299(27.01) 100 6.589(13.43) 75 Montesommaite (K,Na)9Al9Si23O64•10(H2O)
3.130(28.49) 100 2.960(30.17) 60 3.550(25.06) 60 Stibiotantalite SbTaO4
3.130(28.49) 100 2.950(30.27) 94 1.862(48.87) 29 Iwashiroite-(Y) YTaO4
3.131(28.48) 100 6.220(14.23) 80 3.892(22.83) 80 Klebelsbergite Sb+++4O4(OH)2(SO4)
3.131(28.48) 100 3.892(22.83) 80 6.220(14.23) 80 Klebelsbergite Sb+++4O4(OH)2(SO4)
3.132(28.47) 100 3.189(27.96) 100 2.058(43.96) 80 Schlemaite (Cu,[ ])6(Pb,Bi)Se4
3.132(28.47) 100 2.329(38.63) 40 3.713(23.95) 30 Dussertite BaFe+++3(AsO4)2(OH)5
3.132(28.47) 100 2.812(31.80) 100 3.257(27.36) 100 Kornite Na(CaNa)Fe++4(Al,Fe+++)Si7AlO22(OH)2
3.133(28.47) 100 3.163(28.19) 76 1.685(54.41) 49 Leiteite ZnAs+++2O4
3.134(28.46) 100 2.788(32.08) 80 2.506(35.80) 60 Stranskiite Zn2Cu++(AsO4)2
3.134(28.46) 100 2.818(31.73) 80 1.887(48.18) 65 Idaite Cu5FeS6
3.134(28.46) 100 1.917(47.38) 50 1.644(55.88) 10 Silicon Si
3.134(28.46) 100 1.915(47.44) 30 1.929(47.07) 25 Stannite Cu2FeSnS4
3.135(28.45) 100 2.868(31.16) 45 3.433(25.93) 35 Hydroxylherderite CaBe(PO4)(OH)
3.135(28.45) 100 2.866(31.18) 70 3.720(23.90) 60 Anapaite Ca2Fe++(PO4)2•4(H2O)
3.136(28.44) 100 3.288(27.10) 100 4.960(17.87) 90 Lovdarite K2Na6Be4Si14O36•9(H2O)
3.137(28.43) 100 2.841(31.46) 37 3.645(24.40) 30 Krupkaite PbCuBi3S6
3.140(28.40) 100 2.870(31.14) 90 2.520(35.60) 90 Emmonsite Fe+++2Te++++3O9•2(H2O)
3.140(28.40) 100 1.760(51.91) 90 1.240(76.81) 90 Palmierite (K,Na)2Pb(SO4)2
3.140(28.40) 100 2.710(33.03) 100 3.170(28.13) 100 Chevkinite-(Ce) (Ce,La,Ca,Th)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22
3.140(28.40) 100 2.660(33.67) 100 4.120(21.55) 100 Garronite Na2Ca5Al12Si20O64•27(H2O)
3.140(28.40) 100 2.970(30.06) 100 3.330(26.75) 100 Magniotriplite (Mg,Fe++,Mn)2(PO4)F
3.140(28.40) 100 2.410(37.28) 50 1.630(56.40) 50 Pyrolusite MnO2
3.140(28.40) 100 3.210(27.77) 70 2.930(30.48) 60 Bayldonite (Cu,Zn)3Pb(AsO3OH)2(OH)2
3.140(28.40) 100 2.520(35.60) 90 2.870(31.14) 90 Emmonsite Fe+++2Te++++3O9•2(H2O)
3.140(28.40) 100 2.650(33.80) 35 4.050(21.93) 25 Langbeinite K2Mg2(SO4)3
3.140(28.40) 100 2.860(31.25) 80 2.200(40.99) 70 Herderite CaBe(PO4)F
3.140(28.40) 100 3.000(29.76) 90 1.762(51.85) 50 Chalcostibite CuSbS2
3.140(28.40) 100 3.025(29.50) 40 3.622(24.56) 30 Pekoite PbCuBi11(S,Se)18
3.140(28.40) 100 8.510(10.39) 55 2.720(32.90) 35 Magnesiohornblende Ca2[Mg4(Al,Fe+++)]Si7AlO22(OH)2
3.140(28.40) 100 8.450(10.46) 95 2.344(38.37) 70 Potassicpargasite (K,Na)Ca2(Mg,Fe++)5Si8O22(OH,F)2
3.140(28.40) 100 8.110(10.90) 100 2.705(33.09) 80 Aenigmatite (Na,Ca)4(Fe++,Ti,Mg)12Si12O40
3.140(28.40) 100 7.060(12.53) 50 3.580(24.85) 35 Protasite Ba(UO2)3O3(OH)2•3(H2O)
3.140(28.40) 100 5.140(17.24) 90 4.200(21.14) 80 Mroseite CaTe++++(CO3)O2
3.140(28.40) 100 3.290(27.08) 100 3.150(28.31) 94 Chekhovichite (Bi,Pb,Fe)2Te4O11
3.140(28.40) 100 1.925(47.17) 90 1.639(56.06) 80 Hakite (Cu,Hg)3(Sb,As)(Se,S)3
3.140(28.40) 100 1.641(55.99) 80 2.377(37.82) 65 Miserite K1.5-x(Ca, Y,REE)5[Si6O15][Si2O7](OH,F)2•yH2O
3.140(28.40) 100 1.240(76.81) 90 1.760(51.91) 90 Palmierite (K,Na)2Pb(SO4)2
3.140(28.40) 100 1.630(56.40) 50 2.410(37.28) 50 Pyrolusite MnO2
3.141(28.39) 100 2.840(31.47) 80 4.210(21.08) 70 Truscottite (Ca,Mn++)14Si24O58(OH)8•2(H2O)
3.142(28.38) 100 3.118(28.61) 75 3.494(25.47) 25 Valentinite Sb2O3
3.143(28.37) 100 2.826(31.63) 70 1.891(48.08) 60 Nukundamite (Cu,Fe)4S4
3.143(28.37) 100 3.101(28.77) 98 2.412(37.25) 73 Hollandite Ba(Mn++++,Mn++)8O16
3.144(28.36) 100 9.460(9.34) 35 4.998(17.73) 27 Guildite CuFe+++(SO4)2(OH)•4(H2O)
3.145(28.35) 100 8.440(10.47) 90 2.722(32.88) 52 Potassicferrisadanagaite (K,Na)Ca2(Fe++,Mg)2(Fe+++,Al)2[Si5Al3O22](OH,F,O)2
3.146(28.35) 100 2.841(31.46) 80 2.694(33.23) 20 Pingguite Bi+++6Te++++2O13
3.146(28.35) 100 3.089(28.88) 63 5.180(17.10) 53 Kristiansenite Ca2ScSn(Si2O7)(Si2O6OH)
3.148(28.33) 100 2.945(30.32) 60 3.555(25.03) 30 Bismutotantalite Bi(Ta,Nb)O4
3.149(28.32) 100 8.100(10.91) 100 2.696(33.20) 80 Wilkinsonite Na2Fe++4Fe+++2Si6O20
3.149(28.32) 100 3.174(28.09) 100 12.364(7.14) 90 Natrokomarovite Na6CaNb6[Si4O12F2•4(H2O)
3.150(28.31) 100 8.530(10.36) 70 2.730(32.78) 50 Ferritaramite Na(CaNa)(Fe++,Mg)3Fe+++2[Si6Al2O22](OH)2
3.150(28.31) 100 1.543(59.90) 90 2.560(35.02) 90 Labuntsovite-Mn Na4K4(Ba,K)(Mn,Fe)1+x(Ti,Nb)8[Si4O12]4(O,OH)8•n(H2O), n=10-12
3.150(28.31) 100 1.652(55.59) 20 2.741(32.64) 18 Koechlinite Bi2MoO6
3.150(28.31) 100 3.130(28.49) 80 2.409(37.30) 80 Strontiomelane SrMn++++6Mn+++2O16
3.150(28.31) 100 3.220(27.68) 60 4.830(18.35) 60 Cassedanneite Pb5(VO4)2(CrO4)2•(H2O)
3.150(28.31) 100 4.070(21.82) 70 2.668(33.56) 50 Efremovite (NH4)2Mg2(SO4)3
3.150(28.31) 100 4.672(18.98) 100 3.413(26.09) 90 Tancoite HNa2LiAl(PO4)2(OH)
3.150(28.31) 100 8.530(10.36) 70 2.732(32.75) 50 Taramite Na(CaNa)Fe++3AlFe+++[Si6Al2O22](OH)2
3.150(28.31) 100 2.960(30.17) 70 4.820(18.39) 40 Rooseveltite BiAsO4

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