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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 |
| 2.989(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 | 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 | 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 |
| 2.989(29.87) | 100 | 3.034(29.41) | 91 | 5.097(17.38) | 80 | Margarosanite | Pb(Ca,Mn++)2Si3O9 |
| 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 | 2.350(38.27) | 90 | 3.423(26.01) | 90 | Liveingite | Pb9As13S28 |
| 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 | 2.830(31.59) | 100 | 2.140(42.19) | 50 | Tristramite | (Ca,U++++,Fe+++)(PO4,SO4)•2(H2O) |
| 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 | 2.350(38.27) | 90 | 2.093(43.19) | 90 | Liveingite | Pb9As13S28 |
| 2.990(29.86) | 100 | 2.960(30.17) | 100 | 5.622(15.75) | 65 | Biehlite | (Sb,As)2MoO6 |
| 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 | 3.730(23.84) | 70 | 3.470(25.65) | 70 | Livingstonite | HgSb4S8 |
| 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 | 2.812(31.80) | 100 | 3.070(29.06) | 100 | Jeppeite | (K,Ba)2(Ti,Fe+++)6O13 |
| 2.990(29.86) | 100 | 1.800(50.67) | 40 | 1.600(57.56) | 30 | Romarchite | SnO |
| 2.990(29.86) | 100 | 6.580(13.45) | 20 | 2.700(33.15) | 20 | Walstromite | BaCa2Si3O9 |
| 2.990(29.86) | 100 | 2.700(33.15) | 20 | 6.580(13.45) | 20 | Walstromite | BaCa2Si3O9 |
| 2.990(29.86) | 100 | 3.690(24.10) | 90 | 2.410(37.28) | 70 | Tantalite-(Mn) | MnTa2O6 |
| 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 | 1.736(52.68) | 60 | 2.140(42.19) | 40 | Kashinite | (Ir,Rh)2S3 |
| 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 | 1.799(50.70) | 90 | 5.540(15.98) | 80 | Rasvumite | KFe2S3 |
| 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 | 1.900(47.83) | 50 | 1.480(62.73) | 40 | Uranopolycrase | (U,Y)(Ti,Nb,Ta)2O6 |
| 2.990(29.86) | 100 | 2.090(43.25) | 90 | 2.910(30.70) | 70 | Calaverite | AuTe2 |
| 2.990(29.86) | 100 | 2.093(43.19) | 90 | 2.350(38.27) | 90 | Liveingite | Pb9As13S28 |
| 2.990(29.86) | 100 | 2.296(39.20) | 95 | 2.963(30.14) | 94 | Georgbokiite | Cu5O2(SeO3)2Cl2 |
| 2.990(29.86) | 100 | 2.690(33.28) | 40 | 1.800(50.67) | 30 | Romarchite | SnO |
| 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 | 3.090(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 |
| 2.991(29.85) | 100 | 3.695(24.06) | 35 | 1.736(52.68) | 14 | Columbite-(Mn) | (Mn,Fe++)(Nb,Ta)2O6 |
| 2.991(29.85) | 100 | 2.528(35.48) | 40 | 2.893(30.88) | 30 | Diopside | CaMgSi2O6 |
| 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 | 6.502(13.61) | 69 | 4.245(20.91) | 54 | Ussingite | Na2AlSi3O8(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 | 2.635(33.99) | 70 | 2.517(35.64) | 60 | Vuagnatite | CaAlSiO4(OH) |
| 2.994(29.82) | 100 | 3.418(26.05) | 88 | 3.480(25.58) | 64 | Marrucciite | Hg3Pb16Sb18S46 |
| 2.994(29.82) | 100 | 2.766(32.34) | 80 | 3.226(27.63) | 60 | Wendwilsonite | Ca2(Mg,Co)(AsO4)2•2(H2O) |
| 2.995(29.81) | 100 | 3.430(25.96) | 70 | 1.714(53.41) | 60 | Bukovite | Tl2Cu3FeSe4 |
| 2.996(29.80) | 100 | 2.895(30.86) | 100 | 3.363(26.48) | 100 | Gustavite | PbAgBi3S6 (?) |
| 2.996(29.80) | 100 | 8.400(10.52) | 100 | 5.200(17.04) | 60 | Francevillite | (Ba,Pb)(UO2)2V2O8•5(H2O) |
| 2.996(29.80) | 100 | 3.502(25.41) | 70 | 3.173(28.10) | 70 | Stibivanite | Sb+++2V++++O5 |
| 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 | 3.173(28.10) | 70 | 3.502(25.41) | 70 | Stibivanite | Sb+++2V++++O5 |
| 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) |
| 2.997(29.79) | 100 | 2.953(30.24) | 95 | 2.824(31.66) | 90 | Bario-orthojoaquinite | Fe++2(Ba,Sr)4Ti2[Si4O12]O2•(H2O) |
| 2.998(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 | 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 |
| 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 |
| 3.000(29.76) | 100 | 1.758(51.97) | 100 | 1.009(99.53) | 90 | Cuprorhodsite | CuRh2S4 |
| 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 | 2.526(35.51) | 70 | 2.960(30.17) | 60 | Esseneite | CaFe+++AlSiO6 |
| 3.000(29.76) | 100 | 2.540(35.31) | 90 | 1.720(53.21) | 80 | Blakeite | Fe2(TeO3)3 |
| 3.000(29.76) | 100 | 2.820(31.70) | 60 | 3.140(28.40) | 30 | Xanthoconite | Ag3AsS3 |
| 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 | 2.840(31.47) | 90 | 3.110(28.68) | 50 | Pearceite | [Ag9CuS4] [(Ag,Cu)6(As,Sb)2S7] |
| 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 | 2.950(30.27) | 70 | 3.670(24.23) | 70 | Wodginite | Mn++(Sn,Ta)(Ta,Nb)2O8 |
| 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 | 1.831(49.76) | 60 | 1.563(59.05) | 30 | Tetrahedrite | (Cu,Fe)12Sb4S13 |
| 3.000(29.76) | 100 | 5.160(17.17) | 75 | 1.850(49.21) | 75 | Cavoite | CaV3O7 |
| 3.000(29.76) | 100 | 6.700(13.20) | 70 | 2.410(37.28) | 70 | Liebauite | Ca3Cu5Si9O26 |
| 3.000(29.76) | 90 | 2.520(35.60) | 50 | 2.427(37.01) | 50 | Kurilite | (Ag,Au)2(Te,Se,S) |
| 3.000(29.76) | 100 | 1.760(51.91) | 100 | 2.489(36.06) | 90 | Cuproiridsite | CuIr2S4 |
| 3.000(29.76) | 100 | 2.840(31.47) | 90 | 3.110(28.68) | 50 | Antimonpearceite | [Ag9CuS4] [(Ag,Cu)6(Sb,As)2S7] |
| 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 | 3.190(27.95) | 90 | 2.880(31.03) | 80 | Polybasite | [Ag9CuS4] [(Ag,Cu)6(Sb,As)2S7] |
| 3.000(29.76) | 100 | 4.980(17.80) | 100 | 4.060(21.87) | 80 | Spiroffite | (Mn,Zn)2Te3O8 |
| 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 | 3.270(27.25) | 100 | 2.780(32.17) | 90 | Arsenbrackebuschite | Pb2(Fe++,Zn)(AsO4)2•(H2O) |
| 3.000(29.76) | 100 | 2.957(30.20) | 97 | 3.662(24.29) | 53 | Heftetjernite | ScTaO4 |
| 3.000(29.76) | 100 | 3.780(23.52) | 55 | 2.072(43.65) | 35 | Selenium | Se |
| 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 | 3.670(24.23) | 70 | 2.950(30.27) | 70 | Wodginite | Mn++(Sn,Ta)(Ta,Nb)2O8 |
| 3.000(29.76) | 100 | 0.788(155.65) | 100 | 0.777(164.92) | 100 | Bowieite | (Rh,Ir,Pt)1.77S3 |
| 3.000(29.76) | 100 | 3.260(27.33) | 60 | 2.940(30.38) | 55 | Jagowerite | BaAl2(PO4)2(OH)2 |
| 3.001(29.75) | 100 | 4.260(20.83) | 87 | 3.333(26.72) | 86 | Anglesite | PbSO4 |
| 3.002(29.74) | 100 | 2.456(36.56) | 94 | 2.437(36.85) | 86 | Zincolivenite | CuZn(AsO4)(OH) |
| 3.002(29.74) | 100 | 2.258(39.89) | 95 | 2.892(30.89) | 70 | Gramaccioliite-(Y) | (Pb,Sr)(Y,Mn)Fe2(Ti,Fe)18O38 |
| 3.002(29.74) | 100 | 5.753(15.39) | 80 | 3.516(25.31) | 70 | Gorceixite | BaAl3(PO4)(PO3OH)(OH)6 |
| 3.002(29.74) | 100 | 1.606(57.32) | 95 | 2.258(39.89) | 70 | Gramaccioliite-(Y) | (Pb,Sr)(Y,Mn)Fe2(Ti,Fe)18O38 |
| 3.004(29.72) | 100 | 2.661(33.65) | 80 | 3.288(27.10) | 37 | Strontiowhitlockite | Sr7(Mg,Ca)3(PO4)6[PO3(OH)] |
| 3.005(29.71) | 100 | 3.095(28.82) | 85 | 2.895(30.86) | 65 | Tilleyite | Ca5Si2O7(CO3)2 |
| 3.005(29.71) | 100 | 8.190(10.79) | 100 | 4.100(21.66) | 80 | Curienite | Pb(UO2)2V2O8•5(H2O) |
| 3.006(29.70) | 100 | 3.267(27.27) | 71 | 3.042(29.34) | 66 | Tiragalloite | Mn++4As+++++Si3O12(OH) |
| 3.006(29.70) | 100 | 3.505(25.39) | 100 | 6.200(14.27) | 100 | Grumantite | NaHSi2O5•(H2O) |
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