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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 |
| 6.680(13.24) | 100 | 5.910(14.98) | 80 | 3.006(29.70) | 70 | Tinsleyite | KAl2(PO4)2(OH)•2(H2O) |
| 6.692(13.22) | 100 | 2.712(33.00) | 50 | 3.005(29.71) | 50 | Hornesite | Mg3(AsO4)2•8(H2O) |
| 6.692(13.22) | 100 | 3.005(29.71) | 50 | 2.712(33.00) | 50 | Hornesite | Mg3(AsO4)2•8(H2O) |
| 6.700(13.20) | 100 | 3.680(24.16) | 80 | 3.720(23.90) | 80 | Gebhardite | Pb8(As+++2O5)2OCl6 |
| 6.700(13.20) | 100 | 8.610(10.27) | 80 | 4.160(21.34) | 60 | Bijvoetite-(Y) | (Y,REE)8(H2O)25(UO2)16O8(OH)8(CO3)16•14(H2O) |
| 6.700(13.20) | 100 | 3.720(23.90) | 80 | 3.680(24.16) | 80 | Gebhardite | Pb8(As+++2O5)2OCl6 |
| 6.703(13.20) | 100 | 3.224(27.65) | 35 | 7.954(11.11) | 27 | Kottigite | Zn3(AsO4)2•8(H2O) |
| 6.710(13.18) | 100 | 8.590(10.29) | 40 | 4.860(18.24) | 40 | Metavivianite | (Fe++3-x,Fe+++x)(PO4)2(OH)x•8-x(H2O), x=0.5 |
| 6.710(13.18) | 100 | 2.920(30.59) | 100 | 4.700(18.87) | 80 | Natroboltwoodite | (H3O)(Na,K)(UO2)SiO4•(H2O) |
| 6.710(13.18) | 100 | 4.860(18.24) | 40 | 8.590(10.29) | 40 | Metavivianite | (Fe++3-x,Fe+++x)(PO4)2(OH)x•8-x(H2O), x=0.5 |
| 6.710(13.18) | 100 | 3.356(26.54) | 92 | 5.360(16.53) | 85 | Hungchaoite | MgB4O5(OH)4•7(H2O) |
| 6.710(13.18) | 100 | 2.699(33.16) | 70 | 2.956(30.21) | 60 | Baricite | (Mg,Fe++)3(PO4)2•8(H2O) |
| 6.720(13.16) | 100 | 3.003(29.73) | 47 | 3.227(27.62) | 42 | Erythrite | Co3(AsO4)2•8(H2O) |
| 6.730(13.14) | 100 | 3.720(23.90) | 90 | 4.160(21.34) | 60 | Astrocyanite-(Ce) | Cu2(Ce,Nd,La)2(UO2)(CO3)5(OH)2•1.5(H2O) |
| 6.750(13.11) | 100 | 3.025(29.50) | 50 | 8.057(10.97) | 30 | Parasymplesite | Fe++3(AsO4)2•8(H2O) |
| 6.780(13.05) | 100 | 2.610(34.33) | 80 | 3.680(24.16) | 70 | Aurichalcite | (Zn,Cu)5(CO3)2(OH)6 |
| 6.790(13.03) | 100 | 8.970(9.85) | 16 | 7.500(11.79) | 16 | Symplesite | Fe++3(AsO4)2•8(H2O) |
| 6.790(13.03) | 100 | 5.990(14.78) | 70 | 3.061(29.15) | 70 | Leucophosphite | KFe+++2(PO4)2(OH)•2(H2O) |
| 6.790(13.03) | 100 | 5.990(14.78) | 90 | 3.050(29.26) | 45 | Spheniscidite | (NH4,K)(Fe+++,Al)2(PO4)2(OH)•2(H2O) |
| 6.790(13.03) | 100 | 3.061(29.15) | 70 | 5.990(14.78) | 70 | Leucophosphite | KFe+++2(PO4)2(OH)•2(H2O) |
| 6.790(13.03) | 100 | 3.390(26.27) | 31 | 5.180(17.10) | 9 | Nobleite | CaB6O9(OH)2•3(H2O) |
| 6.790(13.03) | 100 | 7.500(11.79) | 16 | 8.970(9.85) | 16 | Symplesite | Fe++3(AsO4)2•8(H2O) |
| 6.800(13.01) | 100 | 2.710(33.03) | 67 | 2.970(30.06) | 67 | Vivianite | Fe++3(PO4)2•8(H2O) |
| 6.800(13.01) | 100 | 2.970(30.06) | 67 | 2.710(33.03) | 67 | Vivianite | Fe++3(PO4)2•8(H2O) |
| 6.810(12.99) | 100 | 5.083(17.43) | 80 | 2.239(40.25) | 80 | Paraotwayite | Ni(OH)2-x(SO4,CO3)0.5x x=.5 |
| 6.810(12.99) | 100 | 8.680(10.18) | 90 | 5.400(16.40) | 90 | Liebigite | Ca2(UO2)(CO3)3•11(H2O) |
| 6.810(12.99) | 100 | 2.239(40.25) | 80 | 5.083(17.43) | 80 | Paraotwayite | Ni(OH)2-x(SO4,CO3)0.5x x=.5 |
| 6.810(12.99) | 100 | 5.400(16.40) | 90 | 8.680(10.18) | 90 | Liebigite | Ca2(UO2)(CO3)3•11(H2O) |
| 6.810(12.99) | 100 | 3.400(26.19) | 90 | 2.950(30.27) | 80 | Boltwoodite | HK(UO2)(SiO4)•1.5(H2O) |
| 6.810(12.99) | 100 | 2.849(31.37) | 90 | 2.983(29.93) | 80 | Rouseite | Pb2Mn++(As+++O3)2•2(H2O) |
| 6.830(12.95) | 100 | 4.330(20.49) | 98 | 2.704(33.10) | 51 | Gravegliaite | Mn++(SO3)•3(H2O) |
| 6.840(12.93) | 100 | 5.670(15.62) | 80 | 2.737(32.69) | 60 | Otwayite | Ni2(CO3)(OH)2•(H2O) |
| 6.840(12.93) | 100 | 2.219(40.62) | 30 | 4.010(22.15) | 20 | Ernienickelite | NiMn++++3O7•3(H2O) |
| 6.870(12.88) | 100 | 2.758(32.44) | 80 | 2.707(33.06) | 80 | Gageite | (Mn,Mg,Zn)42Si16O54(OH)40 |
| 6.870(12.88) | 100 | 2.758(32.44) | 80 | 2.707(33.06) | 80 | Gageite-2M | (Mn,Mg,Zn)42Si16O54(OH)40 |
| 6.870(12.88) | 100 | 2.560(35.02) | 90 | 3.050(29.26) | 80 | Tsepinite-K | (K,Ba,Na)2(Ti,Nb)2(Si4O12)(OH,O)2•3(H2O) |
| 6.870(12.88) | 100 | 2.707(33.06) | 80 | 2.758(32.44) | 80 | Gageite-2M | (Mn,Mg,Zn)42Si16O54(OH)40 |
| 6.870(12.88) | 100 | 2.707(33.06) | 80 | 2.758(32.44) | 80 | Gageite | (Mn,Mg,Zn)42Si16O54(OH)40 |
| 6.900(12.82) | 100 | 3.380(26.35) | 80 | 11.600(7.61) | 80 | Zorite | Na6Ti5[Si12O34](O,OH)5•11(H2O) |
| 6.900(12.82) | 100 | 2.180(41.38) | 65 | 3.610(24.64) | 65 | Minguzzite | K3Fe+++(C2O4)3•3(H2O) |
| 6.900(12.82) | 100 | 11.600(7.61) | 80 | 3.380(26.35) | 80 | Zorite | Na6Ti5[Si12O34](O,OH)5•11(H2O) |
| 6.900(12.82) | 100 | 3.610(24.64) | 65 | 2.180(41.38) | 65 | Minguzzite | K3Fe+++(C2O4)3•3(H2O) |
| 6.909(12.80) | 100 | 8.898(9.93) | 40 | 3.926(22.63) | 30 | Metakottigite | (Zn,Fe+++,Fe++)3(AsO4)2•8((H2O),OH) |
| 6.910(12.80) | 100 | 2.624(34.14) | 80 | 2.310(38.96) | 80 | Gerhardtite | Cu2(NO3)(OH)3 |
| 6.910(12.80) | 100 | 3.190(27.95) | 100 | 3.090(28.87) | 100 | Parakuzmenkoite-Fe | (K,Ba)2Fe(Ti,Nb)4(Si4O12)2(O,OH)4•7(H2O) |
| 6.910(12.80) | 100 | 2.462(36.46) | 90 | 2.669(33.55) | 80 | Rouaite | Cu2(NO3)(OH)3 |
| 6.910(12.80) | 100 | 2.310(38.96) | 80 | 2.624(34.14) | 80 | Gerhardtite | Cu2(NO3)(OH)3 |
| 6.910(12.80) | 100 | 3.457(25.75) | 90 | 2.462(36.46) | 80 | Rouaite | Cu2(NO3)(OH)3 |
| 6.917(12.79) | 100 | 2.843(31.44) | 80 | 3.777(23.53) | 70 | Seamanite | Mn3(PO4)B(OH)6 |
| 6.920(12.78) | 100 | 4.150(21.39) | 80 | 3.680(24.16) | 70 | Chalconatronite | Na2Cu(CO3)2•3(H2O) |
| 6.920(12.78) | 100 | 3.447(25.83) | 80 | 2.376(37.83) | 35 | Manandonite | Li2Al4[(Si2AlB)O10](OH)8 |
| 6.920(12.78) | 100 | 2.023(44.76) | 98 | 3.596(24.74) | 55 | Yarlongite | (Cr4Fe4Ni)C4 |
| 6.921(12.78) | 100 | 5.870(15.08) | 90 | 3.532(25.19) | 28 | Hoganite | Cu(CH3COO)2•H2O |
| 6.930(12.76) | 100 | 3.320(26.83) | 90 | 4.380(20.26) | 60 | Caysichite-(Y) | Y2(Ca,Gd)2Si4O10(CO3)3(H2O,O,OH)•3H20 |
| 6.930(12.76) | 100 | 3.210(27.77) | 100 | 3.110(28.68) | 90 | Neskevaaraite-Fe | NaK3Fe(Ti,Nb)4(Si4O12)2(O,OH)4•6(H2O) |
| 6.931(12.76) | 100 | 3.079(28.98) | 38 | 3.091(28.86) | 38 | Ezcurrite | Na4B10O17•7(H2O) |
| 6.931(12.76) | 100 | 3.091(28.86) | 38 | 3.079(28.98) | 38 | Ezcurrite | Na4B10O17•7(H2O) |
| 6.935(12.75) | 100 | 5.342(16.58) | 71 | 4.556(19.47) | 41 | Erdite | NaFeS2•2(H2O) |
| 6.940(12.74) | 100 | 3.470(25.65) | 30 | 2.700(33.15) | 25 | Posnjakite | Cu4(SO4)(OH)6•(H2O) |
| 6.940(12.74) | 100 | 3.460(25.73) | 70 | 4.060(21.87) | 50 | Aurorite | (Mn,Ag,Ca)Mn++++3O7•3(H2O) |
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