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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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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 2.972(30.04) | 100 | 2.947(30.30) | 76 | 2.924(30.55) | 66 | Hundholmenite-(Y) | (Y,REE,Ca,Na)15(Al,Fe+++)CaxAs+++1-x(Si,As+++++)Si6B3(O,F)48 |
| 2.972(30.04) | 100 | 3.295(27.04) | 98 | 2.731(32.77) | 63 | Celestine | SrSO4 |
| 2.972(30.04) | 100 | 11.890(7.43) | 54 | 1.831(49.76) | 50 | Cupropearceite | [Cu6As2S7][Ag9CuS4] |
| 2.973(30.03) | 100 | 4.650(19.07) | 97 | 7.941(11.13) | 66 | Heulandite-Ba | (Ba,Ca,K,Na,Sr)5Al9Si27O72•22(H2O) |
| 2.973(30.03) | 100 | 3.978(22.33) | 97 | 4.650(19.07) | 66 | Heulandite-Ba | (Ba,Ca,K,Na,Sr)5Al9Si27O72•22(H2O) |
| 2.973(30.03) | 100 | 1.820(50.08) | 53 | 1.552(59.51) | 45 | Calciobetafite | Ca2(Ti,Nb)2(O,OH)7 |
| 2.974(30.02) | 100 | 3.030(29.45) | 100 | 4.821(18.39) | 90 | Vigezzite | (Ca,Ce)(Nb,Ta,Ti)2O6 |
| 2.975(30.01) | 100 | 2.752(32.51) | 30 | 3.990(22.26) | 30 | Philolithite | Pb12O6Mn(Mg,Mn)2(Mn,Mg)4(SO4)(CO3)4Cl4(OH)12 |
| 2.975(30.01) | 100 | 3.177(28.06) | 80 | 1.837(49.58) | 70 | Muckeite | CuNiBiS3 |
| 2.975(30.01) | 100 | 3.990(22.26) | 30 | 2.752(32.51) | 30 | Philolithite | Pb12O6Mn(Mg,Mn)2(Mn,Mg)4(SO4)(CO3)4Cl4(OH)12 |
| 2.975(30.01) | 100 | 3.024(29.51) | 80 | 3.106(28.72) | 35 | Aeschynite-(Ce) | (Ce,Ca,Fe)(Ti,Nb)2(O,OH)6 |
| 2.976(3-) | 100 | 2.966(30.10) | 95 | 3.644(24.41) | 46 | Titanowodginite | (Mn++,Fe++)(Ti,Sn)(Ta,Nb)2O8 |
| 2.976(3-) | 100 | 2.966(30.10) | 95 | 3.644(24.41) | 46 | IMA2000-026 | (Mn,Li)4(Ta,Sn)4(Ta,Nb)8O32 |
| 2.976(3-) | 100 | 2.929(30.49) | 100 | 3.573(24.90) | 90 | Watkinsonite | PbCu2Bi4(Se,S)8 |
| 2.977(29.99) | 100 | 3.675(24.20) | 40 | 1.726(53.01) | 16 | Columbite-(Fe) | Fe++Nb2O6 |
| 2.977(29.99) | 100 | 2.853(31.33) | 88 | 4.324(20.52) | 68 | Labyrinthite | (Na,K,Sr)35Ca12Fe3Zr6TiSi51O144(O,OH,H2O)9Cl3 |
| 2.978(29.98) | 100 | 3.663(24.28) | 70 | 2.339(38.46) | 65 | Marumoite | Pb32As40S92 |
| 2.979(29.97) | 100 | 3.380(26.35) | 100 | 6.430(13.76) | 50 | Phoenicochroite | Pb2(CrO4)O |
| 2.980(29.96) | 100 | 2.670(33.54) | 100 | 2.520(35.60) | 100 | Hydrohalite | NaCl•2(H2O) |
| 2.980(29.96) | 100 | 1.642(55.95) | 80 | 1.993(45.47) | 70 | Lorettoite | Pb7O6Cl2 |
| 2.980(29.96) | 100 | 1.750(52.23) | 50 | 2.530(35.45) | 30 | Zirconolite-3T | CaZrTi2O7 |
| 2.980(29.96) | 100 | 3.740(23.77) | 80 | 3.690(24.10) | 80 | Koragoite | (Mn++,Fe+++)3(Nb,Ta,Ti)2(Nb,Mn)2(W,Ta)2O20 |
| 2.980(29.96) | 100 | 1.836(49.61) | 80 | 1.563(59.05) | 80 | Microlite | (Na,Ca)2Ta2O6(O,OH,F) |
| 2.980(29.96) | 100 | 2.920(30.59) | 100 | 3.490(25.50) | 100 | Tvalchrelidzeite | Hg3SbAsS3 |
| 2.980(29.96) | 100 | 2.860(31.25) | 100 | 3.430(25.96) | 90 | Taseqite | Na12Sr3Ca6Fe3Zr3NbSi25O73(O,OH,H2O)3Cl2 |
| 2.980(29.96) | 100 | 2.880(31.03) | 100 | 3.310(26.91) | 100 | Fornacite | Pb2Cu(CrO4)(AsO4)(OH) |
| 2.980(29.96) | 100 | 1.763(51.81) | 100 | 2.459(36.51) | 90 | Konderite | PbCu3(Rh,Pt,Ir)8S16 |
| 2.980(29.96) | 100 | 1.930(47.04) | 100 | 3.270(27.25) | 100 | Juanite | Ca10Mg4Al2Si11O39•4(H2O) (?) |
| 2.980(29.96) | 100 | 2.220(40.60) | 100 | 5.740(15.42) | 90 | Svanbergite | SrAl3(PO4)(SO4)(OH)6 |
| 2.980(29.96) | 100 | 2.550(35.16) | 100 | 1.955(46.41) | 90 | Balkanite | Cu9Ag5HgS8 |
| 2.980(29.96) | 100 | 11.500(7.68) | 90 | 2.856(31.29) | 80 | Manganokhomyakovite | Na12Sr3Ca6Mn3Zr3W(Si25O73)(O,OH,H2O)3(OH,Cl)2 |
| 2.980(29.96) | 100 | 11.500(7.68) | 90 | 2.856(31.29) | 80 | Khomyakovite | Na12Sr3Ca6Fe3Zr3W(Si25O73)(O,OH,H2O)3 (OH,Cl)2 |
| 2.980(29.96) | 100 | 5.770(15.34) | 90 | 3.530(25.21) | 60 | Lusungite | (Sr,Pb)Fe+++3(PO4)2(OH)5•(H2O) |
| 2.980(29.96) | 100 | 1.820(50.08) | 50 | 1.750(52.23) | 30 | Zirconolite-3T | CaZrTi2O7 |
| 2.980(29.96) | 100 | 2.283(39.44) | 80 | 1.909(47.59) | 70 | Walthierite | Ba0.5Al3(SO4)2(OH)6 |
| 2.980(29.96) | 100 | 2.770(32.29) | 80 | 1.642(55.95) | 70 | Lorettoite | Pb7O6Cl2 |
| 2.980(29.96) | 100 | 2.920(30.59) | 90 | 3.130(28.49) | 40 | Samarskite-(Y) | (Y,Fe+++,U)(Nb,Ta)5O4 |
| 2.980(29.96) | 100 | 3.190(27.95) | 90 | 2.150(41.99) | 70 | Jarlite | Na(Sr,Na,[ ])7(Mg,[ ])Al6F32(OH,H2O)2 |
| 2.980(29.96) | 100 | 5.700(15.53) | 90 | 2.438(36.84) | 80 | Inaglyite | PbCu3(Ir,Pt)8S16 |
| 2.980(29.96) | 100 | 3.620(24.57) | 80 | 3.490(25.50) | 60 | Christite | TlHgAsS3 |
| 2.980(29.96) | 100 | 3.650(24.37) | 32 | 1.459(63.73) | 29 | Ixiolite | (Ta,Nb,Sn,Mn++,Fe++)O2 |
| 2.980(29.96) | 100 | 3.690(24.10) | 80 | 3.740(23.77) | 80 | Koragoite | (Mn++,Fe+++)3(Nb,Ta,Ti)2(Nb,Mn)2(W,Ta)2O20 |
| 2.980(29.96) | 100 | 1.820(50.08) | 50 | 2.530(35.45) | 30 | Zirkelite | (Ca,Th,Ce)Zr(Ti,Nb)2O7 |
| 2.980(29.96) | 100 | 1.746(52.36) | 77 | 2.469(36.36) | 55 | Greigite | Fe++Fe+++2S4 |
| 2.980(29.96) | 100 | 1.563(59.05) | 80 | 1.836(49.61) | 80 | Microlite | (Na,Ca)2Ta2O6(O,OH,F) |
| 2.980(29.96) | 100 | 4.820(18.39) | 90 | 5.910(14.98) | 70 | Olivenite | Cu2AsO4(OH) |
| 2.980(29.96) | 100 | 2.265(39.76) | 87 | 4.530(19.58) | 86 | Adranosite | (NH4)4NaAl2(SO4)4Cl(OH)2 |
| 2.980(29.96) | 100 | 1.400(66.76) | 80 | 2.130(42.40) | 70 | Omphacite | (Ca,Na)(Mg,Fe++,Al)Si2O6 |
| 2.981(29.95) | 100 | 5.730(15.45) | 90 | 3.510(25.35) | 90 | Hidalgoite | PbAl3(AsO4)(SO4)(OH)6 |
| 2.981(29.95) | 100 | 2.737(32.69) | 80 | 3.100(28.77) | 60 | Sundiusite | Pb10(SO4)Cl2O8 |
| 2.981(29.95) | 100 | 3.510(25.35) | 90 | 5.730(15.45) | 90 | Hidalgoite | PbAl3(AsO4)(SO4)(OH)6 |
| 2.982(29.94) | 100 | 1.833(49.70) | 80 | 1.562(59.09) | 70 | Jixianite | Pb(W,Fe+++)2(O,OH)7 |
| 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 | 2.440(36.80) | 50 | 3.270(27.25) | 50 | Rhodizite | (K,Cs)Al4Be4(B,Be)12O28 |
| 2.983(29.93) | 100 | 2.702(33.13) | 82 | 6.631(13.34) | 70 | Thermessaite | K2[AlF3SO4] |
| 2.983(29.93) | 100 | 2.816(31.75) | 78 | 1.989(45.57) | 75 | Parkinsonite | (Pb,Mo,[ ])8O8Cl2 |
| 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 | 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 | 2.851(31.35) | 80 | 3.117(28.61) | 66 | Hydroxylwagnerite | Mg2(PO4)(OH) |
| 2.984(29.92) | 100 | 3.173(28.10) | 90 | 2.484(36.13) | 80 | Lapeyreite | Cu3O[AsO3(OH)]2•H2O |
| 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) |
| 2.985(29.91) | 100 | 1.845(49.35) | 40 | 2.548(35.19) | 35 | Stenhuggarite | CaFe+++(As+++O2)(As+++Sb+++O5) |
| 2.986(29.90) | 100 | 1.830(49.79) | 82 | 5.970(14.83) | 65 | Chlorbartonite | K6Fe24S26(Cl,S) |
| 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 |
| 2.987(29.89) | 100 | 3.650(24.37) | 82 | 2.940(30.38) | 50 | Lithiowodginite | LiTa3O8 |
| 2.987(29.89) | 100 | 4.390(20.21) | 100 | 2.850(31.36) | 79 | Aqualite | (H3O)8(Na,K,Sr)5Ca6Zr3Si26O66(OH)9Cl |
| 2.987(29.89) | 100 | 4.345(20.42) | 81 | 2.861(31.24) | 70 | Rastsvetaevite | Na27K8Ca12Fe3Zr6Si52O144(O,OH,H2O)6Cl2 |
| 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 |
| 2.988(29.88) | 100 | 3.404(26.16) | 86 | 1.873(48.57) | 55 | Paratellurite | TeO2 |
| 2.988(29.88) | 100 | 4.130(21.50) | 40 | 4.320(20.54) | 40 | Mattheddleite | Pb20(SiO4)7(SO4)4Cl4 |
| 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 | 4.810(18.43) | 50 | 4.050(21.93) | 50 | Carbocernaite | (Ca,Na)(Sr,Ce,Ba)(CO3)2 |
| 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 | 3.034(29.41) | 91 | 5.097(17.38) | 80 | Margarosanite | Pb(Ca,Mn++)2Si3O9 |
| 2.989(29.87) | 100 | 4.146(21.41) | 100 | 2.495(35.97) | 90 | Routhierite | TlCu(Hg,Zn)2(As,Sb)2S3 |
| 2.989(29.87) | 100 | 4.050(21.93) | 50 | 4.810(18.43) | 50 | Carbocernaite | (Ca,Na)(Sr,Ce,Ba)(CO3)2 |
| 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 | 1.900(47.83) | 50 | 1.480(62.73) | 40 | Uranopolycrase | (U,Y)(Ti,Nb,Ta)2O6 |
| 2.990(29.86) | 100 | 2.960(30.17) | 100 | 5.622(15.75) | 65 | Biehlite | (Sb,As)2MoO6 |
| 2.990(29.86) | 100 | 3.690(24.10) | 90 | 2.410(37.28) | 70 | Tantalite-(Mn) | MnTa2O6 |
| 2.990(29.86) | 100 | 1.799(50.70) | 90 | 5.540(15.98) | 80 | Rasvumite | KFe2S3 |
| 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 | 2.090(43.25) | 90 | 2.910(30.70) | 70 | Calaverite | AuTe2 |
| 2.990(29.86) | 100 | 1.736(52.68) | 60 | 2.140(42.19) | 40 | Kashinite | (Ir,Rh)2S3 |
| 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 | 2.812(31.80) | 100 | 3.070(29.06) | 100 | Jeppeite | (K,Ba)2(Ti,Fe+++)6O13 |
| 2.990(29.86) | 100 | 2.093(43.19) | 90 | 2.350(38.27) | 90 | Liveingite | Pb9As13S28 |
| 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) |
| 2.990(29.86) | 100 | 3.470(25.65) | 70 | 3.730(23.84) | 70 | Livingstonite | HgSb4S8 |
| 2.990(29.86) | 100 | 2.350(38.27) | 90 | 2.093(43.19) | 90 | Liveingite | Pb9As13S28 |
| 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 | 3.090(28.87) | 100 | 3.400(26.19) | 100 | Epididymite | NaBeSi3O7(OH) |
| 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 | 2.950(30.27) | 40 | 3.660(24.30) | 40 | Euxenite-(Y) | (Y,Ca,Ce)(Nb,Ta,Ti)2O6 |
| 2.990(29.86) | 100 | 2.700(33.15) | 20 | 6.580(13.45) | 20 | Walstromite | BaCa2Si3O9 |
| 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 | 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 | 2.830(31.59) | 100 | 2.140(42.19) | 50 | Tristramite | (Ca,U++++,Fe+++)(PO4,SO4)•2(H2O) |
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