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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 |
| 3.890(22.84) | 100 | 2.550(35.16) | 100 | 2.810(31.82) | 80 | Fiedlerite | Pb3Cl4F(OH)2 |
| 3.892(22.83) | 100 | 2.820(31.70) | 90 | 2.685(33.34) | 80 | Fencooperite | Ba6Fe+++3Si8O23(CO3)2Cl3•H2O |
| 3.900(22.78) | 100 | 2.840(31.47) | 70 | 2.069(43.71) | 60 | Iridarsenite | (Ir,Ru)As2 |
| 3.900(22.78) | 100 | 3.840(23.14) | 71 | 5.900(15.00) | 36 | Abramovite | Pb2SnInBiS7 |
| 3.900(22.78) | 100 | 4.360(20.35) | 50 | 5.220(16.97) | 20 | Lovozerite | H4Na2Ca(Zr,Ti)[Si6O18] |
| 3.900(22.78) | 100 | 3.650(24.37) | 100 | 2.870(31.14) | 100 | Sahamalite-(Ce) | (Mg,Fe++)Ce2(CO3)4 |
| 3.900(22.78) | 100 | 3.660(24.30) | 100 | 2.250(40.04) | 90 | Ice | H2O |
| 3.917(22.68) | 100 | 2.959(30.18) | 90 | 8.845(9.99) | 80 | Heulandite-Ca | (Ca,Na)2-3Al3(Al,Si)2Si13O36•12(H2O) |
| 3.917(22.68) | 100 | 2.959(30.18) | 90 | 8.845(9.99) | 80 | Heulandite-Na | (Na,Ca)2-3Al3(Al,Si)2Si13O36•12(H2O) |
| 3.917(22.68) | 100 | 2.959(30.18) | 90 | 8.845(9.99) | 80 | Heulandite-K | (K,Na,Ca)2-3Al3(Al,Si)2Si13O36•12(H2O) |
| 3.917(22.68) | 100 | 2.959(30.18) | 90 | 8.845(9.99) | 80 | Heulandite-Sr | (Sr,Na,Ca)2-3Al3(Al,Si)2Si13O36•12(H2O) |
| 3.920(22.66) | 100 | 3.755(23.67) | 100 | 6.071(14.58) | 100 | Pentagonite | Ca(VO)Si4O10•4(H2O) |
| 3.920(22.66) | 100 | 3.040(29.36) | 60 | 2.950(30.27) | 60 | Innelite | (Na,Mg,Ca)2(Ba,K)4Ti3(Si2O7)2(SO4)2(OH,F) |
| 3.920(22.66) | 100 | 2.590(34.60) | 100 | 3.020(29.55) | 70 | Fedorovskite | Ca2(Mg,Mn)2B4O7(OH)6 |
| 3.920(22.66) | 100 | 2.950(30.27) | 60 | 3.040(29.36) | 60 | Innelite | (Na,Mg,Ca)2(Ba,K)4Ti3(Si2O7)2(SO4)2(OH,F) |
| 3.927(22.62) | 100 | 13.670(6.46) | 50 | 3.023(29.52) | 41 | Fuenzalidaite | K6(Na,K)4Na6Mg10(SO4)12(IO3)12•12(H2O) |
| 3.930(22.61) | 100 | 4.060(21.87) | 30 | 2.068(43.74) | 30 | Levyclaudite | Pb8Sn7Cu3(Bi,Sb)3S28 |
| 3.930(22.61) | 100 | 2.068(43.74) | 30 | 4.060(21.87) | 30 | Levyclaudite | Pb8Sn7Cu3(Bi,Sb)3S28 |
| 3.931(22.60) | 100 | 1.762(51.85) | 70 | 2.778(32.20) | 60 | Wickmanite | Mn++Sn++++(OH)6 |
| 3.934(22.58) | 100 | 6.897(12.82) | 80 | 3.348(26.60) | 70 | Steverustite | Pb++5(OH)5[Cu+(SO3S--)3](H2O)1.67 |
| 3.940(22.55) | 100 | 3.050(29.26) | 100 | 2.960(30.17) | 100 | Catapleiite | (Na,Ca,[ ])2ZrSi3O9•2(H2O) |
| 3.940(22.55) | 100 | 2.770(32.29) | 90 | 1.760(51.91) | 50 | Tetrawickmanite | Mn++Sn++++(OH)6 |
| 3.947(22.51) | 100 | 3.332(26.73) | 60 | 3.085(28.92) | 58 | Kamarizaite | Fe+++3(AsO4)2(OH)3•3H2O |
| 3.950(22.49) | 100 | 1.914(47.46) | 100 | 3.240(27.51) | 90 | Paratsepinite-Ba | (Ba,Na,K)2-x(Ti,Nb)2(Si4O12)(OH,O)2•4(H2O) |
| 3.950(22.49) | 100 | 1.971(46.01) | 90 | 2.790(32.05) | 70 | Pachnolite | NaCaAlF6•(H2O) |
| 3.950(22.49) | 100 | 2.552(35.14) | 93 | 1.898(47.89) | 72 | Rossmanite | [ ]LiAl2Al6(Si6O18)(BO3)3(OH)4 |
| 3.950(22.49) | 100 | 2.738(32.68) | 70 | 2.970(30.06) | 70 | Verplanckite | Ba2(Mn++,Ti,Fe++)2Si2O6(O,OH,Cl,F)2•3(H2O) |
| 3.950(22.49) | 100 | 2.970(30.06) | 70 | 2.738(32.68) | 70 | Verplanckite | Ba2(Mn++,Ti,Fe++)2Si2O6(O,OH,Cl,F)2•3(H2O) |
| 3.950(22.49) | 100 | 3.030(29.45) | 90 | 1.974(45.94) | 60 | Sosedkoite | (K,Na)5Al2(Ta,Nb)22O60 |
| 3.950(22.49) | 100 | 7.110(12.44) | 100 | 1.914(47.46) | 90 | Paratsepinite-Ba | (Ba,Na,K)2-x(Ti,Nb)2(Si4O12)(OH,O)2•4(H2O) |
| 3.960(22.43) | 100 | 2.800(31.94) | 90 | 1.778(51.35) | 90 | Dzhalindite | In(OH)3 |
| 3.960(22.43) | 100 | 1.778(51.35) | 90 | 2.800(31.94) | 90 | Dzhalindite | In(OH)3 |
| 3.960(22.43) | 100 | 2.980(29.96) | 63 | 7.830(11.29) | 20 | Apophyllite-(NaF) | NaCa4Si8O20F•8(H2O) |
| 3.960(22.43) | 100 | 7.800(11.33) | 90 | 4.570(19.41) | 60 | Hauckite | (Mg,Mn++)24Zn18Fe+++3(SO4)4(CO3)2(OH)81 (?) |
| 3.962(22.42) | 100 | 4.017(22.11) | 75 | 3.240(27.51) | 75 | Bariopharmacosiderite | BaFe+++4(AsO4)3(OH)5•5(H2O) |
| 3.962(22.42) | 100 | 3.240(27.51) | 75 | 4.017(22.11) | 75 | Bariopharmacosiderite | BaFe+++4(AsO4)3(OH)5•5(H2O) |
| 3.963(22.42) | 100 | 3.268(27.27) | 93 | 5.244(16.89) | 83 | Fabianite | CaB3O5(OH) |
| 3.963(22.42) | 100 | 2.913(30.67) | 90 | 4.179(21.24) | 80 | Parakeldyshite | Na2ZrSi2O7 |
| 3.965(22.40) | 100 | 2.971(30.05) | 40 | 5.450(16.25) | 20 | Platynite | (Bi,Pb)3(Se,S)4 |
| 3.965(22.40) | 100 | 2.990(29.86) | 67 | 1.588(58.03) | 26 | Apophyllite-(KOH) | KCa4Si8O20(OH,F)•8(H2O) |
| 3.965(22.40) | 100 | 2.635(33.99) | 100 | 3.794(23.43) | 90 | Lithiophosphate | Li3PO4 |
| 3.969(22.38) | 100 | 2.567(34.92) | 100 | 4.211(21.08) | 90 | Magnesiofoitite | [ ](Mg2Al)Al6(Si6O18)(BO3)3(OH)4 |
| 3.971(22.37) | 100 | 8.990(9.83) | 85 | 3.910(22.72) | 70 | Clinoptilolite-Na | (Na,K,Ca)2-3Al3(Al,Si)2Si13O36•12(H2O) |
| 3.971(22.37) | 100 | 8.990(9.83) | 85 | 3.910(22.72) | 70 | Clinoptilolite-Ca | (Ca,Na,K)2-3Al3(Al,Si)2Si13O36•12(H2O) |
| 3.974(22.35) | 100 | 2.600(34.47) | 72 | 2.184(41.30) | 49 | Roweite | Ca2Mn++2B4O7(OH)6 |
| 3.978(22.33) | 100 | 2.582(34.71) | 90 | 4.234(20.96) | 90 | Hydroxyuvite | CaMg3(Al5Mg)(Si6O18)(BO3)3(OH)3(OH) |
| 3.978(22.33) | 100 | 4.234(20.96) | 90 | 2.582(34.71) | 90 | Hydroxyuvite | CaMg3(Al5Mg)(Si6O18)(BO3)3(OH)3(OH) |
| 3.980(22.32) | 100 | 3.040(29.36) | 30 | 3.610(24.64) | 20 | Urea | CO(NH2)2 |
| 3.980(22.32) | 100 | 1.833(49.70) | 90 | 2.920(30.59) | 80 | Zharchikhite | AlF(OH)2 |
| 3.990(22.26) | 100 | 2.890(30.92) | 100 | 7.250(12.20) | 80 | Stokesite | CaSnSi3O9•2(H2O) |
| 3.990(22.26) | 100 | 3.560(24.99) | 70 | 2.260(39.86) | 70 | Naujakasite | Na6(Fe++,Mn)Al4Si8O26 |
| 3.990(22.26) | 100 | 4.180(21.24) | 80 | 2.970(30.06) | 52 | Keldyshite | Na2-xHxZrSi2O7•n(H2O) |
| 3.990(22.26) | 100 | 2.260(39.86) | 70 | 3.560(24.99) | 70 | Naujakasite | Na6(Fe++,Mn)Al4Si8O26 |
| 3.990(22.26) | 100 | 3.250(27.42) | 80 | 3.380(26.35) | 70 | Scotlandite | PbSO3 |
| 3.990(22.26) | 100 | 2.317(38.83) | 56 | 2.131(42.38) | 52 | Diaspore | AlO(OH) |
| 4.000(22.21) | 100 | 2.644(33.88) | 80 | 3.200(27.86) | 80 | Reinerite | Zn3(As+++O3)2 |
| 4.000(22.21) | 100 | 3.188(27.96) | 75 | 3.258(27.35) | 75 | Orlandiite | Pb3(Cl,OH)4(SeO3)•(H2O) |
| 4.000(22.21) | 100 | 3.258(27.35) | 75 | 3.188(27.96) | 75 | Orlandiite | Pb3(Cl,OH)4(SeO3)•(H2O) |
| 4.000(22.21) | 100 | 3.800(23.39) | 70 | 2.990(29.86) | 50 | Paracelsian | BaAl2Si2O8 |
| 4.000(22.21) | 100 | 3.200(27.86) | 80 | 2.644(33.88) | 80 | Reinerite | Zn3(As+++O3)2 |
| 4.000(22.21) | 100 | 3.406(26.14) | 100 | 3.050(29.26) | 100 | Calciouranoite | (Ca,Ba,Pb)U2O7•5(H2O) |
| 4.010(22.15) | 100 | 3.270(27.25) | 100 | 1.998(45.35) | 80 | Kukharenkoite-(La) | Ba2(La,Ce)(CO3)3F |
| 4.010(22.15) | 100 | 2.340(38.44) | 100 | 3.640(24.43) | 90 | Beryllite | Be3SiO4(OH)2•(H2O) |
| 4.014(22.13) | 100 | 10.330(8.55) | 100 | 3.435(25.92) | 90 | Kanemite | NaHSi2O5•3(H2O) |
| 4.020(22.09) | 100 | 3.507(25.38) | 100 | 3.441(25.87) | 100 | Nalipoite | NaLi2PO4 |
| 4.020(22.09) | 100 | 3.210(27.77) | 100 | 2.510(35.74) | 80 | Petscheckite | U++++Fe++(Nb,Ta)2O8 |
| 4.020(22.09) | 100 | 2.480(36.19) | 100 | 2.760(32.41) | 90 | Chkalovite | Na2BeSi2O6 |
| 4.020(22.09) | 100 | 1.963(46.21) | 90 | 1.996(45.40) | 80 | Thomsenolite | NaCaAlF6•(H2O) |
| 4.020(22.09) | 100 | 2.296(39.20) | 80 | 2.377(37.82) | 60 | Barstowite | Pb4(CO3)Cl6•(H2O) |
| 4.030(22.04) | 100 | 2.554(35.11) | 90 | 2.970(30.06) | 60 | Kipushite | (Cu,Zn)5Zn(PO4)2(OH)6•(H2O) |
| 4.030(22.04) | 100 | 11.600(7.61) | 32 | 2.114(42.74) | 16 | Tschernichite | (Ca,Na)(Si6Al2)O16•4-8(H2O) |
| 4.030(22.04) | 100 | 2.114(42.74) | 32 | 3.156(28.25) | 16 | Tschernichite | (Ca,Na)(Si6Al2)O16•4-8(H2O) |
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