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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.
|
Selected X-Ray λ |
Change X-Ray λ |
D1 Å |
D2 Å |
D3 Å |
Tolerance % |
Elements |
|---|
[ 1 ] [ 2 ] [ 3 ] [ 4 ] [ 5 ] [ 6 ]
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 2.983(29.93) | 100 | 2.440(36.80) | 50 | 3.270(27.25) | 50 | Rhodizite | (K,Cs)Al4Be4(B,Be)12O28 |
| 2.983(29.93) | 100 | 3.270(27.25) | 50 | 2.440(36.80) | 50 | Rhodizite | (K,Cs)Al4Be4(B,Be)12O28 |
| 2.983(29.93) | 100 | 3.158(28.24) | 90 | 2.838(31.50) | 65 | Serandite | Na(Mn++,Ca)2Si3O8(OH) |
| 2.983(29.93) | 100 | 2.816(31.75) | 78 | 1.989(45.57) | 75 | Parkinsonite | (Pb,Mo,[ ])8O8Cl2 |
| 2.983(29.93) | 100 | 2.702(33.13) | 82 | 6.631(13.34) | 70 | Thermessaite | K2[AlF3SO4] |
| 2.983(29.93) | 100 | 3.503(25.41) | 20 | 2.625(34.13) | 19 | Vastmanlandite-(Ce) | (Ce,La)3CaAl2Mg2[Si2O7][SiO4]3F(OH)2 |
| 2.984(29.92) | 100 | 3.173(28.10) | 90 | 2.484(36.13) | 80 | Lapeyreite | Cu3O[AsO3(OH)]2•H2O |
| 2.984(29.92) | 100 | 2.851(31.35) | 80 | 3.117(28.61) | 66 | Hydroxylwagnerite | Mg2(PO4)(OH) |
| 2.985(29.91) | 100 | 1.845(49.35) | 40 | 2.548(35.19) | 35 | Stenhuggarite | CaFe+++(As+++O2)(As+++Sb+++O5) |
| 2.985(29.91) | 100 | 3.297(27.02) | 65 | 3.123(28.56) | 63 | Wagnerite | (Mg,Fe++)2(PO4)F |
| 2.985(29.91) | 100 | 11.972(7.38) | 100 | 3.540(25.14) | 60 | Tlapallite | H6(Ca,Pb)2Cu3(SO4)(Te++++O3)4(Te++++++O6) |
| 2.986(29.90) | 100 | 3.100(28.77) | 100 | 1.911(47.54) | 50 | Gotzenite | (Ca,Na)3(Ti,Al)Si2O7(F,OH)2 |
| 2.986(29.90) | 100 | 1.830(49.79) | 82 | 5.970(14.83) | 65 | Chlorbartonite | K6Fe24S26(Cl,S) |
| 2.987(29.89) | 100 | 3.650(24.37) | 82 | 2.940(30.38) | 50 | Lithiowodginite | LiTa3O8 |
| 2.987(29.89) | 100 | 4.345(20.42) | 81 | 2.861(31.24) | 70 | Rastsvetaevite | Na27K8Ca12Fe3Zr6Si52O144(O,OH,H2O)6Cl2 |
| 2.987(29.89) | 100 | 4.390(20.21) | 100 | 2.850(31.36) | 79 | Aqualite | (H3O)8(Na,K,Sr)5Ca6Zr3Si26O66(OH)9Cl |
| 2.988(29.88) | 100 | 4.130(21.50) | 40 | 4.320(20.54) | 40 | Mattheddleite | Pb20(SiO4)7(SO4)4Cl4 |
| 2.988(29.88) | 100 | 3.404(26.16) | 86 | 1.873(48.57) | 55 | Paratellurite | TeO2 |
| 2.988(29.88) | 100 | 3.068(29.08) | 85 | 3.384(26.31) | 60 | Vanadinite | Pb5(VO4)3Cl |
| 2.988(29.88) | 100 | 4.320(20.54) | 40 | 4.130(21.50) | 40 | Mattheddleite | Pb20(SiO4)7(SO4)4Cl4 |
| 2.989(29.87) | 100 | 4.810(18.43) | 50 | 4.050(21.93) | 50 | Carbocernaite | (Ca,Na)(Sr,Ce,Ba)(CO3)2 |
| 2.989(29.87) | 100 | 1.830(49.79) | 40 | 1.561(59.14) | 40 | Stibiobetafite | (Sb+++,Ca)2(Ti,Nb,Ta)2(O,OH)7 |
| 2.989(29.87) | 100 | 3.034(29.41) | 91 | 5.097(17.38) | 80 | Margarosanite | Pb(Ca,Mn++)2Si3O9 |
| 2.989(29.87) | 100 | 1.561(59.14) | 40 | 1.830(49.79) | 40 | Stibiobetafite | (Sb+++,Ca)2(Ti,Nb,Ta)2(O,OH)7 |
| 2.989(29.87) | 100 | 4.050(21.93) | 50 | 4.810(18.43) | 50 | Carbocernaite | (Ca,Na)(Sr,Ce,Ba)(CO3)2 |
| 2.989(29.87) | 100 | 4.146(21.41) | 100 | 2.495(35.97) | 90 | Routhierite | TlCu(Hg,Zn)2(As,Sb)2S3 |
| 2.990(29.86) | 100 | 2.113(42.76) | 70 | 2.441(36.79) | 50 | Londonite | CsAl4Be4(B,Be)12O28 |
| 2.990(29.86) | 100 | 11.580(7.63) | 100 | 1.652(55.59) | 80 | Ershovite | Na4K3(Fe++,Mn++,Ti)2Si8O20(OH)4•5(H2O) |
| 2.990(29.86) | 100 | 1.620(56.78) | 100 | 1.430(65.18) | 100 | Augite | (Ca,Na)(Mg,Fe,Al,Ti)(Si,Al)2O6 |
| 2.990(29.86) | 100 | 2.350(38.27) | 90 | 3.423(26.01) | 90 | Liveingite | Pb9As13S28 |
| 2.990(29.86) | 100 | 1.800(50.67) | 40 | 1.600(57.56) | 30 | Romarchite | SnO |
| 2.990(29.86) | 100 | 2.830(31.59) | 100 | 2.140(42.19) | 50 | Tristramite | (Ca,U++++,Fe+++)(PO4,SO4)•2(H2O) |
| 2.990(29.86) | 100 | 3.660(24.30) | 40 | 2.950(30.27) | 40 | Euxenite-(Y) | (Y,Ca,Ce)(Nb,Ta,Ti)2O6 |
| 2.990(29.86) | 100 | 3.400(26.19) | 100 | 3.090(28.87) | 100 | Epididymite | NaBeSi3O7(OH) |
| 2.990(29.86) | 100 | 3.730(23.84) | 70 | 3.470(25.65) | 70 | Livingstonite | HgSb4S8 |
| 2.990(29.86) | 100 | 6.580(13.45) | 20 | 2.700(33.15) | 20 | Walstromite | BaCa2Si3O9 |
| 2.990(29.86) | 100 | 2.812(31.80) | 100 | 3.070(29.06) | 100 | Jeppeite | (K,Ba)2(Ti,Fe+++)6O13 |
| 2.990(29.86) | 100 | 2.350(38.27) | 90 | 2.093(43.19) | 90 | Liveingite | Pb9As13S28 |
| 2.990(29.86) | 100 | 7.930(11.15) | 100 | 2.700(33.15) | 100 | Clinoholmquistite | [ ](Li2Mg3Al2)Si8O22(OH)2 |
| 2.990(29.86) | 100 | 2.960(30.17) | 100 | 5.622(15.75) | 65 | Biehlite | (Sb,As)2MoO6 |
| 2.990(29.86) | 100 | 2.890(30.92) | 100 | 2.293(39.26) | 80 | Alunite | KAl3(SO4)2(OH)6 |
| 2.990(29.86) | 100 | 2.093(43.19) | 90 | 2.350(38.27) | 90 | Liveingite | Pb9As13S28 |
| 2.990(29.86) | 100 | 2.690(33.28) | 40 | 1.800(50.67) | 30 | Romarchite | SnO |
| 2.990(29.86) | 100 | 2.296(39.20) | 95 | 2.963(30.14) | 94 | Georgbokiite | Cu5O2(SeO3)2Cl2 |
| 2.990(29.86) | 100 | 2.950(30.27) | 40 | 3.660(24.30) | 40 | Euxenite-(Y) | (Y,Ca,Ce)(Nb,Ta,Ti)2O6 |
| 2.990(29.86) | 100 | 3.080(28.97) | 90 | 3.240(27.51) | 70 | Trigonite | Pb3Mn(As+++O3)2(As+++O2OH) |
| 2.990(29.86) | 100 | 2.090(43.25) | 90 | 2.910(30.70) | 70 | Calaverite | AuTe2 |
| 2.990(29.86) | 100 | 1.900(47.83) | 50 | 1.480(62.73) | 40 | Uranopolycrase | (U,Y)(Ti,Nb,Ta)2O6 |
| 2.990(29.86) | 100 | 1.799(50.70) | 90 | 5.540(15.98) | 80 | Rasvumite | KFe2S3 |
| 2.990(29.86) | 100 | 2.700(33.15) | 20 | 6.580(13.45) | 20 | Walstromite | BaCa2Si3O9 |
| 2.990(29.86) | 100 | 1.750(52.23) | 90 | 2.471(36.33) | 80 | Ferrorhodsite | (Fe,Cu)(Rh,Ir,Pt)2S4 |
| 2.990(29.86) | 100 | 1.736(52.68) | 60 | 2.140(42.19) | 40 | Kashinite | (Ir,Rh)2S3 |
| 2.990(29.86) | 100 | 3.090(28.87) | 100 | 3.400(26.19) | 100 | Epididymite | NaBeSi3O7(OH) |
| 2.990(29.86) | 100 | 3.220(27.68) | 80 | 3.350(26.59) | 60 | Roselite | Ca2(Co,Mg)(AsO4)2•2(H2O) |
| 2.990(29.86) | 100 | 3.470(25.65) | 70 | 3.730(23.84) | 70 | Livingstonite | HgSb4S8 |
| 2.990(29.86) | 100 | 3.690(24.10) | 90 | 2.410(37.28) | 70 | Tantalite-(Mn) | MnTa2O6 |
| 2.990(29.86) | 100 | 3.550(25.06) | 90 | 1.769(51.63) | 60 | Arsenocrandallite | (Ca,Sr)Al3[(As,P)O4]2(OH)5•(H2O) |
| 2.991(29.85) | 100 | 2.528(35.48) | 40 | 2.893(30.88) | 30 | Diopside | CaMgSi2O6 |
| 2.991(29.85) | 100 | 3.695(24.06) | 35 | 1.736(52.68) | 14 | Columbite-(Mn) | (Mn,Fe++)(Nb,Ta)2O6 |
| 2.992(29.84) | 100 | 4.232(20.97) | 85 | 2.770(32.29) | 80 | Galkhaite | (Cs,Tl)(Hg,Cu,Zn)6(As,Sb)4S12 |
| 2.993(29.83) | 100 | 2.635(33.99) | 70 | 2.517(35.64) | 60 | Vuagnatite | CaAlSiO4(OH) |
| 2.993(29.83) | 100 | 2.950(30.27) | 70 | 7.700(11.48) | 50 | Vicanite-(Ce) | (Ca,Ce,La,Th)15As+++++(As+++0.5,Na0.5)Fe+++Si6B4O40F7 |
| 2.993(29.83) | 100 | 6.502(13.61) | 69 | 4.245(20.91) | 54 | Ussingite | Na2AlSi3O8(OH) |
| 2.994(29.82) | 100 | 2.766(32.34) | 80 | 3.226(27.63) | 60 | Wendwilsonite | Ca2(Mg,Co)(AsO4)2•2(H2O) |
| 2.994(29.82) | 100 | 3.418(26.05) | 88 | 3.480(25.58) | 64 | Marrucciite | Hg3Pb16Sb18S46 |
| 2.995(29.81) | 100 | 3.430(25.96) | 70 | 1.714(53.41) | 60 | Bukovite | Tl2Cu3FeSe4 |
| 2.996(29.80) | 100 | 3.502(25.41) | 70 | 3.173(28.10) | 70 | Stibivanite | Sb+++2V++++O5 |
| 2.996(29.80) | 100 | 3.173(28.10) | 70 | 3.502(25.41) | 70 | Stibivanite | Sb+++2V++++O5 |
| 2.996(29.80) | 100 | 2.895(30.86) | 100 | 3.363(26.48) | 100 | Gustavite | PbAgBi3S6 (?) |
| 2.996(29.80) | 100 | 2.535(35.38) | 47 | 2.581(34.73) | 42 | Grossmanite | CaTi+++AlSiO6 |
| 2.996(29.80) | 100 | 2.954(30.23) | 95 | 4.840(18.31) | 65 | Hubnerite | MnWO4 |
| 2.996(29.80) | 100 | 14.290(6.18) | 100 | 6.390(13.85) | Lintisite | Na3LiTi2Si4O14•2(H2O) | |
| 2.996(29.80) | 100 | 8.400(10.52) | 100 | 5.200(17.04) | 60 | Francevillite | (Ba,Pb)(UO2)2V2O8•5(H2O) |
| 2.997(29.79) | 100 | 2.953(30.24) | 95 | 2.824(31.66) | 90 | Bario-orthojoaquinite | Fe++2(Ba,Sr)4Ti2[Si4O12]O2•(H2O) |
| 2.997(29.79) | 100 | 1.838(49.55) | 90 | 1.568(58.85) | 90 | Bismutomicrolite | (Bi,Ca)(Ta,Nb)2O6(OH) |
| 2.997(29.79) | 100 | 1.568(58.85) | 90 | 1.838(49.55) | 90 | Bismutomicrolite | (Bi,Ca)(Ta,Nb)2O6(OH) |
| 2.998(29.78) | 100 | 2.938(30.40) | 100 | 3.100(28.77) | 100 | Manganbabingtonite | Ca2(Mn,Fe++)Fe+++Si5O14(OH) |
| 2.998(29.78) | 100 | 5.990(14.78) | 77 | 1.833(49.70) | 40 | Bartonite | K3Fe10S14 |
| 2.999(29.77) | 100 | 3.252(27.40) | 91 | 3.283(27.14) | 89 | Zincgartrellite | Pb(Zn,Fe,Cu)2(AsO4)2(OH,H2O)2 |
| 2.999(29.77) | 100 | 1.833(49.70) | 40 | 1.594(57.79) | 20 | Watanabeite | Cu4(As,Sb)2S5 |
| 2.999(29.77) | 100 | 2.655(33.73) | 100 | 3.303(26.97) | 90 | Strakhovite | NaBa3(Mn++,Mn+++)4Si6O19(OH)3 |
| 3.000(29.76) | 100 | 2.940(30.38) | 100 | 1.581(58.31) | 70 | Tantalaeschynite-(Y) | (Y,Ce,Ca)(Ta,Ti,Nb)2O6 |
| 3.000(29.76) | 100 | 1.758(51.97) | 100 | 1.009(99.53) | 90 | Cuprorhodsite | CuRh2S4 |
| 3.000(29.76) | 100 | 1.760(51.91) | 100 | 2.489(36.06) | 90 | Cuproiridsite | CuIr2S4 |
| 3.000(29.76) | 100 | 3.190(27.95) | 90 | 2.880(31.03) | 80 | Polybasite | [Ag9CuS4] [(Ag,Cu)6(Sb,As)2S7] |
| 3.000(29.76) | 100 | 2.957(30.20) | 97 | 3.662(24.29) | 53 | Heftetjernite | ScTaO4 |
| 3.000(29.76) | 100 | 1.831(49.76) | 60 | 1.563(59.05) | 30 | Tetrahedrite | (Cu,Fe)12Sb4S13 |
| 3.000(29.76) | 100 | 3.190(27.95) | 90 | 2.880(31.03) | 80 | Arsenpolybasite | [Ag9CuS4] [(Ag,Cu)6(As,Sb)2S7] |
| 3.000(29.76) | 100 | 3.220(27.68) | 80 | 5.100(17.37) | 60 | Zincroselite | Ca2Zn(AsO4)2•2(H2O) |
| 3.000(29.76) | 100 | 3.260(27.33) | 60 | 2.940(30.38) | 55 | Jagowerite | BaAl2(PO4)2(OH)2 |
| 3.000(29.76) | 100 | 3.270(27.25) | 100 | 2.780(32.17) | 90 | Arsenbrackebuschite | Pb2(Fe++,Zn)(AsO4)2•(H2O) |
| 3.000(29.76) | 100 | 3.780(23.52) | 55 | 2.072(43.65) | 35 | Selenium | Se |
| 3.000(29.76) | 100 | 5.340(16.59) | 60 | 3.620(24.57) | 55 | Teschemacherite | (NH4)HCO3 |
| 3.000(29.76) | 100 | 5.750(15.40) | 70 | 3.520(25.28) | 60 | Osarizawaite | PbCuAl2(SO4)2(OH)6 |
| 3.000(29.76) | 100 | 2.526(35.51) | 70 | 2.960(30.17) | 60 | Esseneite | CaFe+++AlSiO6 |
| 3.000(29.76) | 90 | 2.427(37.01) | 50 | 2.520(35.60) | 50 | Kurilite | (Ag,Au)2(Te,Se,S) |
| 3.000(29.76) | 100 | 2.410(37.28) | 70 | 6.700(13.20) | 70 | Liebauite | Ca3Cu5Si9O26 |
| 3.000(29.76) | 100 | 1.850(49.21) | 75 | 5.160(17.17) | 75 | Cavoite | CaV3O7 |
| 3.000(29.76) | 100 | 1.838(49.55) | 60 | 1.568(58.85) | 50 | Pyrochlore | (Na,Ca)2Nb2O6(OH,F) |
| 3.000(29.76) | 100 | 4.980(17.80) | 100 | 4.060(21.87) | 80 | Spiroffite | (Mn,Zn)2Te3O8 |
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