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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 |
| 4.352(20.39) | 100 | 3.209(27.78) | 80 | 3.501(25.42) | 70 | Emeleusite | Na4Li2Fe+++2Si12O30 |
| 4.356(20.37) | 100 | 7.120(12.42) | 70 | 3.289(27.09) | 65 | Lonecreekite | (NH4)(Fe+++,Al)(SO4)2•12(H2O) |
| 4.360(20.35) | 100 | 2.885(30.97) | 89 | 3.250(27.42) | 70 | Phosphogartrellite | PbCuFe+++(PO4)2(OH,H2O)2 |
| 4.360(20.35) | 100 | 5.450(16.25) | 100 | 3.090(28.87) | 90 | Mansfieldite | AlAsO4•2(H2O) |
| 4.360(20.35) | 100 | 2.060(43.92) | 100 | 3.040(29.36) | 100 | Zemkorite | (Na,K)2Ca(CO3)2 |
| 4.360(20.35) | 100 | 3.590(24.78) | 100 | 1.540(60.02) | 100 | Neotocite | (Mn,Fe++)SiO3•(H2O) (?) |
| 4.373(20.29) | 40 | 2.325(38.70) | 40 | 2.116(42.70) | 40 | Tischendorfite | Pd8Hg3Se9 |
| 4.380(20.26) | 100 | 4.020(22.09) | 55 | 5.450(16.25) | 30 | Moorhouseite | (Co,Ni,Mn)SO4•6(H2O) |
| 4.380(20.26) | 100 | 3.190(27.95) | 90 | 2.540(35.31) | 80 | Bertrandite | Be4Si2O7(OH)2 |
| 4.386(20.23) | 100 | 2.662(33.64) | 100 | 4.733(18.73) | 100 | Flinkite | Mn++2Mn+++(AsO4)(OH)4 |
| 4.390(20.21) | 100 | 2.987(29.89) | 100 | 2.850(31.36) | 79 | Aqualite | (H3O)8(Na,K,Sr)5Ca6Zr3Si26O66(OH)9Cl |
| 4.390(20.21) | 100 | 8.760(10.09) | 100 | 1.996(45.40) | 70 | Bazhenovite | CaS5•CaS2O3•6Ca(OH)2•20(H2O) |
| 4.390(20.21) | 100 | 5.450(16.25) | 50 | 5.100(17.37) | 45 | Hexahydrite | MgSO4•6(H2O) |
| 4.390(20.21) | 100 | 4.200(21.14) | 60 | 2.890(30.92) | 50 | Wattevilleite | Na2Ca(SO4)2•4(H2O) (?) |
| 4.390(20.21) | 100 | 3.058(29.18) | 90 | 5.090(17.41) | 80 | Eveite | Mn2(AsO4)(OH) |
| 4.390(20.21) | 100 | 1.236(77.10) | 90 | 2.158(41.82) | 80 | Heterogenite-2H | Co+++O(OH) |
| 4.390(20.21) | 100 | 2.890(30.92) | 60 | 2.950(30.27) | 50 | Wattevilleite | Na2Ca(SO4)2•4(H2O) (?) |
| 4.400(20.16) | 100 | 8.790(10.05) | 80 | 2.750(32.53) | 50 | Akrochordite | Mn4Mg(AsO4)2(OH)4•4(H2O) |
| 4.400(20.16) | 100 | 3.610(24.64) | 85 | 1.838(49.55) | 21 | Duttonite | V++++O(OH)2 |
| 4.400(20.16) | 100 | 2.315(38.87) | 80 | 1.804(50.55) | 60 | Heterogenite-3R | Co+++O(OH) |
| 4.407(20.13) | 100 | 3.280(27.16) | 100 | 4.250(20.88) | 80 | Wulfingite | Zn(OH)2 |
| 4.410(20.12) | 100 | 2.410(37.28) | 95 | 2.120(42.61) | 90 | Fluoborite | Mg3(BO3)(F,OH)3 |
| 4.415(20.10) | 100 | 3.821(23.26) | 80 | 2.702(33.13) | 60 | Boleite | KPb26Ag9Cu24Cl62(OH)48 |
| 4.420(20.07) | 100 | 12.000(7.36) | 100 | 7.030(12.58) | 100 | Monteregianite-(Y) | (Na,K)6(Y,Ca)2Si16O38•10(H2O) |
| 4.420(20.07) | 100 | 10.100(8.75) | 90 | 1.481(62.68) | 90 | Endellite | Al2Si2O5(OH)4•2(H2O) |
| 4.420(20.07) | 100 | 10.100(8.75) | 90 | 3.340(26.67) | 90 | Endellite | Al2Si2O5(OH)4•2(H2O) |
| 4.420(20.07) | 100 | 9.200(9.61) | 90 | 3.070(29.06) | 85 | Pyrophyllite | Al2Si4O10(OH)2 |
| 4.420(20.07) | 100 | 7.030(12.58) | 100 | 12.000(7.36) | 100 | Monteregianite-(Y) | (Na,K)6(Y,Ca)2Si16O38•10(H2O) |
| 4.420(20.07) | 100 | 5.110(17.34) | 70 | 3.650(24.37) | 60 | Bonattite | CuSO4•3(H2O) |
| 4.420(20.07) | 100 | 1.481(62.68) | 90 | 10.100(8.75) | 90 | Endellite | Al2Si2O5(OH)4•2(H2O) |
| 4.420(20.07) | 100 | 2.595(34.53) | 70 | 2.190(41.19) | 65 | Artroeite | PbAlF3(OH)2 |
| 4.420(20.07) | 100 | 4.030(22.04) | 90 | 2.965(30.12) | 80 | Bianchite | (Zn,Fe++)(SO4)•6(H2O) |
| 4.420(20.07) | 100 | 3.380(26.35) | 80 | 3.120(28.59) | 70 | Denningite | (Mn,Zn)Te2O5 |
| 4.430(20.03) | 100 | 3.500(25.43) | 70 | 3.320(26.83) | 70 | Plancheite | Cu8Si8O22(OH)4•(H2O) |
| 4.430(20.03) | 100 | 2.970(30.06) | 70 | 2.930(30.48) | 70 | Ferrohexahydrite | Fe++SO4•6(H2O) |
| 4.430(20.03) | 100 | 3.830(23.20) | 100 | 2.710(33.03) | 95 | Pseudoboleite | Pb5Cu4Cl10(OH)8•2(H2O) |
| 4.430(20.03) | 100 | 2.560(35.02) | 85 | 3.660(24.30) | 40 | Illite | (K,H3O)(Al,Mg,Fe)2(Si,Al)4O10[(OH)2,(H2O)] |
| 4.430(20.03) | 100 | 2.930(30.48) | 70 | 2.970(30.06) | 70 | Ferrohexahydrite | Fe++SO4•6(H2O) |
| 4.430(20.03) | 100 | 3.320(26.83) | 70 | 3.500(25.43) | 70 | Plancheite | Cu8Si8O22(OH)4•(H2O) |
| 4.430(20.03) | 100 | 3.360(26.51) | 100 | 4.660(19.03) | 80 | Sinoite | Si2N2O |
| 4.432(20.02) | 100 | 3.500(25.43) | 70 | 2.366(38.00) | 70 | Shattuckite | Cu5(SiO3)4(OH)2 |
| 4.432(20.02) | 100 | 2.366(38.00) | 70 | 3.500(25.43) | 70 | Shattuckite | Cu5(SiO3)4(OH)2 |
| 4.438(19.99) | 100 | 8.860(9.98) | 85 | 3.383(26.32) | 60 | Phosphophyllite | Zn2(Fe++,Mn)(PO4)2•4(H2O) |
| 4.439(19.99) | 100 | 3.103(28.75) | 87 | 4.352(20.39) | 52 | IMA2009-013 | NaCe2(CO3)2[(CO3)1-xF2x]F |
| 4.440(19.98) | 100 | 2.407(37.33) | 30 | 1.858(48.99) | 25 | Grimaldiite | Cr+++O(OH) |
| 4.440(19.98) | 100 | 5.260(16.84) | 90 | 2.970(30.06) | 80 | Vandenbrandeite | Cu(UO2)(OH)4 |
| 4.442(19.97) | 100 | 1.939(46.81) | 95 | 3.627(24.52) | 50 | Metaborite | HBO2 |
| 4.450(19.94) | 100 | 1.492(62.17) | 70 | 12.200(7.24) | 40 | Rectorite | (Na,Ca)Al4(Si,Al)8O20(OH)4•2(H2O) |
| 4.450(19.94) | 100 | 2.550(35.16) | 70 | 1.492(62.17) | 40 | Rectorite | (Na,Ca)Al4(Si,Al)8O20(OH)4•2(H2O) |
| 4.460(19.89) | 100 | 8.910(9.92) | 90 | 7.850(11.26) | 80 | Alvanite | (Zn,Ni)Al4(VO3)2(OH)12•2(H2O) |
| 4.460(19.89) | 100 | 2.462(36.46) | 50 | 2.353(38.22) | 50 | Ludjibaite | Cu5(PO4)2(OH)4 |
| 4.460(19.89) | 100 | 13.370(6.61) | 76 | 3.340(26.67) | 71 | Revdite | Na2Si2O5•5(H2O) |
| 4.460(19.89) | 100 | 2.353(38.22) | 50 | 2.462(36.46) | 50 | Ludjibaite | Cu5(PO4)2(OH)4 |
| 4.460(19.89) | 100 | 2.973(30.03) | 80 | 2.686(33.33) | 45 | Ottrelite | (Mn,Fe++,Mg)2Al4Si2O10(OH)4 |
| 4.460(19.89) | 100 | 5.440(16.28) | 90 | 3.950(22.49) | 80 | Aplowite | (Co,Mn,Ni)SO4•4(H2O) |
| 4.470(19.85) | 100 | 2.460(36.49) | 90 | 2.970(30.06) | 80 | Chloritoid | (Fe++,Mg,Mn)2Al4Si2O10(OH)4 |
| 4.470(19.85) | 100 | 3.210(27.77) | 100 | 5.150(17.20) | 80 | Schubnelite | Fe++(V+++++O4)(H2O) |
| 4.470(19.85) | 100 | 2.460(36.49) | 90 | 2.970(30.06) | 80 | Magnesiochloritoid | MgAl2SiO5(OH)2 |
| 4.470(19.85) | 100 | 4.260(20.83) | 100 | 4.120(21.55) | 80 | Chaoite | C |
| 4.470(19.85) | 100 | 5.460(16.22) | 90 | 3.970(22.38) | 70 | Rozenite | Fe++SO4•4(H2O) |
| 4.470(19.85) | 100 | 2.410(37.28) | 100 | 3.132(28.47) | 30 | Reichenbachite | Cu++5(PO4)2(OH)4 |
| 4.470(19.85) | 100 | 5.460(16.22) | 100 | 6.850(12.91) | 80 | Boyleite | (Zn,Mg)SO4•4(H2O) |
| 4.480(19.80) | 100 | 5.560(15.93) | 65 | 3.960(22.43) | 65 | Ilesite | (Mn,Zn,Fe++)SO4•4(H2O) |
| 4.480(19.80) | 90 | 1.527(60.59) | 70 | 2.510(35.74) | 60 | Sobotkite | (K,Ca0.5)0.33(Mg,Al)3(Si3Al)O10(OH)2•1-5(H2O) |
| 4.480(19.80) | 100 | 2.950(30.27) | 100 | 5.500(16.10) | 60 | Starkeyite | MgSO4•4(H2O) |
| 4.480(19.80) | 100 | 3.960(22.43) | 65 | 5.560(15.93) | 65 | Ilesite | (Mn,Zn,Fe++)SO4•4(H2O) |
| 4.480(19.80) | 100 | 8.350(10.59) | 79 | 4.360(20.35) | 67 | Meta-aluminite | Al2(SO4)(OH)4•5(H2O) |
| 4.480(19.80) | 90 | 14.500(6.09) | 70 | 1.527(60.59) | 60 | Sobotkite | (K,Ca0.5)0.33(Mg,Al)3(Si3Al)O10(OH)2•1-5(H2O) |
| 4.490(19.76) | 100 | 2.386(37.67) | 70 | 2.443(36.76) | 60 | Pseudomalachite | Cu5(PO4)2(OH)4 |
| 4.490(19.76) | 100 | 4.330(20.49) | 80 | 4.390(20.21) | 80 | Alunogen | Al2(SO4)3•17(H2O) |
| 4.490(19.76) | 100 | 4.390(20.21) | 80 | 4.330(20.49) | 80 | Alunogen | Al2(SO4)3•17(H2O) |
| 4.495(19.73) | 100 | 3.333(26.72) | 100 | 10.200(8.66) | 100 | Ashburtonite | HPb4Cu++4Si4O12(HCO3)4(OH)4Cl |
| 4.497(19.73) | 100 | 3.910(22.72) | 48 | 7.820(11.31) | 40 | Sharpite | Ca(UO2)6(CO3)5(OH)4•6(H2O) |
| 4.500(19.71) | 100 | 3.200(27.86) | 80 | 5.650(15.67) | 80 | Scorodite | Fe+++AsO4•2(H2O) |
| 4.500(19.71) | 100 | 7.300(12.11) | 100 | 13.900(6.35) | 100 | Yakhontovite | (Ca,K)0.5(Cu,Fe+++,Mg)2Si4O10(OH)2•3(H2O) |
| 4.500(19.71) | 100 | 13.900(6.35) | 100 | 7.300(12.11) | 100 | Yakhontovite | (Ca,K)0.5(Cu,Fe+++,Mg)2Si4O10(OH)2•3(H2O) |
| 4.500(19.71) | 100 | 4.247(20.90) | 69 | 3.952(22.48) | 58 | Aubertite | CuAl(SO4)2Cl•14(H2O) |
| 4.500(19.71) | 100 | 3.970(22.38) | 80 | 5.610(15.78) | 70 | Magnesioaubertite | (Mg,Cu)Al(SO4)2Cl•14(H2O) |
| 4.500(19.71) | 100 | 5.650(15.67) | 80 | 3.200(27.86) | 80 | Scorodite | Fe+++AsO4•2(H2O) |
| 4.520(19.62) | 100 | 2.610(34.33) | 100 | 2.550(35.16) | 100 | Beidellite | Na0.5Al2(Si3.5Al0.5)O10(OH)2•n(H2O) |
| 4.520(19.62) | 100 | 9.040(9.78) | 60 | 2.770(32.29) | 35 | Synchysite-(Nd) | CaNd(CO3)2F |
| 4.520(19.62) | 100 | 2.211(40.78) | 100 | 1.910(47.57) | 100 | Hongshiite | PtCu |
| 4.528(19.59) | 100 | 2.728(32.80) | 90 | 2.480(36.19) | 90 | Carboirite-III | Fe++Al2GeO5(OH)2 |
| 4.528(19.59) | 100 | 2.728(32.80) | 90 | 2.480(36.19) | 90 | Carboirite-VIII | Fe++(Al,Ge)2 O[(Ge,Si)O4](OH)2 |
| 4.528(19.59) | 100 | 2.480(36.19) | 90 | 2.728(32.80) | 90 | Carboirite-VIII | Fe++(Al,Ge)2 O[(Ge,Si)O4](OH)2 |
| 4.528(19.59) | 100 | 2.480(36.19) | 90 | 2.728(32.80) | 90 | Carboirite-III | Fe++Al2GeO5(OH)2 |
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