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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 |
| 2.852(31.34) | 100 | 1.717(53.31) | 40 | 2.548(35.19) | 30 | Villamaninite | (Cu,Ni,Co,Fe)S2 |
| 2.853(31.33) | 100 | 2.014(44.97) | 80 | 3.290(27.08) | 80 | Schapbachite | AgBiS2 |
| 2.853(31.33) | 100 | 2.674(33.48) | 73 | 3.186(27.98) | 43 | Derbylite | (Fe+++,Fe++,Ti)7Sb+++O13(OH) |
| 2.853(31.33) | 100 | 2.775(32.23) | 85 | 3.432(25.94) | 45 | Aiolosite | Na4Bi(SO4)3Cl |
| 2.853(31.33) | 100 | 2.974(30.02) | 86 | 4.311(20.59) | 66 | Raslakite | Na15Ca3Fe3(Na,Zr)3Zr3(Si,Nb)(Si25O73)(OH,H2O)3(Cl,OH) |
| 2.853(31.33) | 100 | 3.127(28.52) | 65 | 2.990(29.86) | 59 | Eveslogite | (Ca,K,Na,Sr,Ba)48[(Ti,Nb,Fe,Mn)12(OH)12Si48O144](F,OH,Cl)14 |
| 2.853(31.33) | 100 | 3.290(27.08) | 80 | 2.014(44.97) | 80 | Schapbachite | AgBiS2 |
| 2.854(31.32) | 100 | 2.916(30.63) | 86 | 2.646(33.85) | 86 | Mottanaite-(Ce) | Ca4(Ce,Ca)2AlBe2[Si4B4O22]O2 |
| 2.854(31.32) | 100 | 3.084(28.93) | 90 | 2.926(30.53) | 65 | Fukalite | Ca4Si2O6(CO3)(OH,F)2 |
| 2.854(31.32) | 100 | 2.977(29.99) | 81 | 4.310(20.59) | 69 | Feklichevite | Na11Ca9(Fe+++,Fe++)2Zr3Nb[Si25O73](OH,H2O,Cl,O)5 |
| 2.854(31.32) | 100 | 2.646(33.85) | 86 | 2.916(30.63) | 86 | Mottanaite-(Ce) | Ca4(Ce,Ca)2AlBe2[Si4B4O22]O2 |
| 2.855(31.30) | 100 | 2.475(36.27) | 50 | 1.493(62.12) | 32 | Lead | Pb |
| 2.855(31.30) | 100 | 4.576(19.38) | 55 | 9.160(9.65) | 55 | Hopeite | Zn3(PO4)2•4(H2O) |
| 2.855(31.30) | 100 | 9.160(9.65) | 55 | 4.576(19.38) | 55 | Hopeite | Zn3(PO4)2•4(H2O) |
| 2.856(31.29) | 100 | 3.020(29.55) | 100 | 10.110(8.74) | 85 | Iquiqueite | K3Na4Mg(Cr++++++O4)B24O39(OH)•12(H2O) |
| 2.856(31.29) | 100 | 3.327(26.77) | 16 | 3.416(26.06) | 10 | Teallite | PbSnS2 |
| 2.857(31.28) | 100 | 4.625(19.17) | 100 | 2.944(30.34) | 100 | Thomsonite-Ca | NaCa2Al5Si5O20•6(H2O) |
| 2.857(31.28) | 100 | 3.693(24.08) | 85 | 5.055(17.53) | 75 | Malachite | Cu2(CO3)(OH)2 |
| 2.857(31.28) | 100 | 2.944(30.34) | 100 | 4.625(19.17) | 100 | Thomsonite-Ca | NaCa2Al5Si5O20•6(H2O) |
| 2.858(31.27) | 100 | 1.762(51.85) | 27 | 3.079(28.98) | 24 | Melilite | (Ca,Na)2(Al,Mg,Fe++)(Si,Al)2O7 |
| 2.858(31.27) | 100 | 2.182(41.34) | 90 | 1.602(57.48) | 70 | Ferroskutterudite | (Fe,Co)As3 |
| 2.858(31.27) | 100 | 1.746(52.36) | 80 | 1.489(62.30) | 80 | Murataite | (Y,Na)6(Zn,Fe+++)5(Ti,Nb)12O29(O,F)14 |
| 2.858(31.27) | 100 | 1.489(62.30) | 80 | 1.746(52.36) | 80 | Murataite | (Y,Na)6(Zn,Fe+++)5(Ti,Nb)12O29(O,F)14 |
| 2.858(31.27) | 100 | 1.602(57.48) | 90 | 1.829(49.81) | 70 | Ferroskutterudite | (Fe,Co)As3 |
| 2.859(31.26) | 100 | 2.807(31.85) | 70 | 3.234(27.56) | 30 | Normandite | NaCa(Mn++,Fe++)(Ti,Nb,Zr)Si2O7(O,F)2 |
| 2.859(31.26) | 100 | 2.456(36.56) | 32 | 3.075(29.01) | 25 | Alumoakermanite | (Ca,Na)2(Al,Mg,Fe++)(Si2O7) |
| 2.860(31.25) | 100 | 9.340(9.46) | 70 | 5.000(17.72) | 60 | Wilhelmvierlingite | CaMn++Fe+++(PO4)2(OH)•2(H2O) |
| 2.860(31.25) | 100 | 18.740(4.71) | 100 | 8.970(9.85) | 90 | Strashimirite | Cu8(AsO4)4(OH)4•5(H2O) |
| 2.860(31.25) | 100 | 9.300(9.50) | 80 | 4.980(17.80) | 50 | Keckite | Ca(Mn,Zn)2Fe+++3(PO4)4(OH)3•2(H2O) |
| 2.860(31.25) | 100 | 5.790(15.29) | 70 | 4.350(20.40) | 50 | Mesolite | Na2Ca2Al6Si9O30•8(H2O) |
| 2.860(31.25) | 100 | 2.050(44.14) | 40 | 1.970(46.03) | 40 | Breithauptite | NiSb |
| 2.860(31.25) | 100 | 1.044(95.09) | 30 | 1.614(57.01) | 20 | Butschliite | K2Ca(CO3)2 |
| 2.860(31.25) | 100 | 1.810(50.37) | 60 | 2.440(36.80) | 30 | Rhodplumsite | Pb2Rh3S2 |
| 2.860(31.25) | 100 | 2.020(44.83) | 80 | 0.933(111.30) | 80 | Kieftite | CoSb3 |
| 2.860(31.25) | 100 | 2.930(30.48) | 30 | 2.640(33.93) | 30 | Braggite | (Pt,Pd,Ni)S |
| 2.860(31.25) | 100 | 3.060(29.16) | 90 | 2.960(30.17) | 90 | Latiumite | (Ca,K)8(Al,Mg,Fe)(Si,Al)10O25(SO4) |
| 2.860(31.25) | 100 | 2.740(32.65) | 100 | 2.900(30.81) | 100 | Kentrolite | Pb2Mn+++2Si2O9 |
| 2.860(31.25) | 100 | 2.691(33.27) | 100 | 2.960(30.17) | 100 | Thomsonite-Sr | (Sr,Ca)2Na[Al5Si5O20]•7(H2O) |
| 2.860(31.25) | 100 | 3.430(25.96) | 100 | 9.510(9.29) | 90 | Taseqite | Na12Sr3Ca6Fe3Zr3NbSi25O73(O,OH,H2O)3Cl2 |
| 2.860(31.25) | 100 | 3.500(25.43) | 90 | 2.715(32.96) | 70 | Graftonite | (Fe++,Mn,Ca)3(PO4)2 |
| 2.860(31.25) | 100 | 3.190(27.95) | 60 | 2.594(34.55) | 50 | Ferromerrillite | Ca9NaFe(PO4)7 |
| 2.860(31.25) | 100 | 0.933(111.30) | 80 | 2.020(44.83) | 80 | Kieftite | CoSb3 |
| 2.860(31.25) | 100 | 1.559(59.22) | 90 | 3.260(27.33) | 80 | Turtmannite | (Mn,Mg)25.5[(V,As)O4]3(SiO4)3[AsO3]xO5-5x(OH)20+x |
| 2.860(31.25) | 100 | 2.640(33.93) | 30 | 2.930(30.48) | 30 | Braggite | (Pt,Pd,Ni)S |
| 2.860(31.25) | 100 | 1.620(56.78) | 90 | 3.770(23.58) | 80 | Perite | PbBiO2Cl |
| 2.860(31.25) | 100 | 1.670(54.94) | 80 | 2.360(38.10) | 70 | Siegenite | (Ni,Co)3S4 |
| 2.860(31.25) | 100 | 1.674(54.79) | 80 | 1.825(49.93) | 60 | Carrollite | Cu(Co,Ni)2S4 |
| 2.860(31.25) | 100 | 2.930(30.48) | 100 | 2.140(42.19) | 90 | Tyretskite | Ca2B5O9(OH)•(H2O) |
| 2.860(31.25) | 100 | 2.910(30.70) | 100 | 2.610(34.33) | 80 | Vysotskite | (Pd,Ni)S |
| 2.860(31.25) | 100 | 1.970(46.03) | 40 | 2.050(44.14) | 40 | Breithauptite | NiSb |
| 2.860(31.25) | 100 | 2.750(32.53) | 60 | 3.490(25.50) | 50 | Fermorite | (Ca,Sr)5(AsO4,PO4)3(OH) |
| 2.860(31.25) | 100 | 2.010(45.07) | 60 | 1.810(50.37) | 30 | Rhodplumsite | Pb2Rh3S2 |
| 2.860(31.25) | 100 | 2.340(38.44) | 90 | 4.020(22.09) | 70 | Parkerite | Ni3(Bi,Pb)2S2 |
| 2.860(31.25) | 100 | 2.950(30.27) | 100 | 1.764(51.78) | 80 | Nordite-(La) | (Na,Mn)3(Sr,Ca)(La,Ce)(Zn,Mg)Si6O17 |
| 2.860(31.25) | 100 | 2.030(44.60) | 80 | 3.430(25.96) | 70 | Incaite | Pb4Sn4FeSb2S15 |
| 2.860(31.25) | 100 | 3.160(28.22) | 75 | 9.520(9.28) | 60 | Syngenite | K2Ca(SO4)2•(H2O) |
| 2.860(31.25) | 100 | 3.030(29.45) | 90 | 3.200(27.86) | 70 | Zwieselite | (Fe++,Mn)2(PO4)F |
| 2.860(31.25) | 100 | 3.020(29.55) | 30 | 1.044(95.09) | 20 | Butschliite | K2Ca(CO3)2 |
| 2.860(31.25) | 100 | 2.980(29.96) | 100 | 3.430(25.96) | 90 | Taseqite | Na12Sr3Ca6Fe3Zr3NbSi25O73(O,OH,H2O)3Cl2 |
| 2.860(31.25) | 100 | 2.960(30.17) | 90 | 3.060(29.16) | 90 | Latiumite | (Ca,K)8(Al,Mg,Fe)(Si,Al)10O25(SO4) |
| 2.861(31.24) | 100 | 3.452(25.79) | 90 | 3.578(24.86) | 58 | IMA2008-058 | Ag5Bi13S22 |
| 2.862(31.23) | 100 | 3.078(28.99) | 80 | 1.963(46.21) | 50 | Monazite-(Ce) | (Ce,La,Nd,Th)PO4 |
| 2.863(31.22) | 100 | 3.490(25.50) | 100 | 2.708(33.05) | 60 | Beusite | (Mn++,Fe++,Ca,Mg)3(PO4)2 |
| 2.863(31.22) | 100 | 2.653(33.76) | 50 | 2.388(37.64) | 50 | Samfowlerite | Ca14Mn++3Zn2(Be,Zn)2Be6(SiO4)6(Si2O7)4(OH,F)6 |
| 2.863(31.22) | 100 | 2.023(44.76) | 100 | 3.530(25.21) | 50 | Mummeite | Cu0.58Ag3.11Pb1.10Bi6.65S13 |
| 2.863(31.22) | 100 | 2.388(37.64) | 50 | 2.653(33.76) | 50 | Samfowlerite | Ca14Mn++3Zn2(Be,Zn)2Be6(SiO4)6(Si2O7)4(OH,F)6 |
| 2.866(31.18) | 100 | 3.383(26.32) | 75 | 2.831(31.58) | 72 | Loveringite | (Ca,Ce)(Ti,Fe+++,Cr,Mg)21O38 |
| 2.867(31.17) | 100 | 6.549(13.51) | 50 | 4.387(20.23) | 50 | Tetranatrolite | Na2[Al2Si3O10]•2(H2O) |
| 2.867(31.17) | 100 | 3.254(27.39) | 95 | 7.980(11.08) | 90 | Beryl | Be3Al2Si6O18 |
| 2.867(31.17) | 100 | 4.387(20.23) | 50 | 6.549(13.51) | 50 | Tetranatrolite | Na2[Al2Si3O10]•2(H2O) |
| 2.867(31.17) | 100 | 3.735(23.80) | 96 | 3.347(26.61) | 84 | IMA2008-053 | Cu7Pb27Bi25S68 |
| 2.868(31.16) | 100 | 2.030(44.60) | 90 | 2.345(38.35) | 75 | Elpasolite | K2NaAlF6 |
| 2.868(31.16) | 100 | 3.085(28.92) | 60 | 3.711(23.96) | 50 | Hardystonite | Ca2ZnSi2O7 |
| 2.869(31.15) | 100 | 1.743(52.45) | 100 | 2.651(33.78) | 70 | Sonolite | Mn9(SiO4)4(OH,F)2 |
| 2.869(31.15) | 100 | 2.965(30.12) | 80 | 11.820(7.47) | 55 | Hodgkinsonite | MnZn2SiO4(OH)2 |
| 2.870(31.14) | 100 | 2.686(33.33) | 50 | 3.030(29.45) | 30 | Caryinite | (Na,Pb)(Ca,Na)(Ca,Mn++)(Mn++,Mg)2(AsO4)3 |
| 2.870(31.14) | 100 | 1.740(52.55) | 100 | 3.310(26.91) | 100 | Hollingworthite | (Rh,Pt,Pd)AsS |
| 2.870(31.14) | 100 | 3.090(28.87) | 30 | 1.760(51.91) | 30 | Akermanite | Ca2MgSi2O7 |
| 2.870(31.14) | 100 | 1.998(45.35) | 80 | 1.900(47.83) | 80 | Belovite-(Ce) | (Sr,Ce,Na,Ca)5(PO4)3(OH) |
| 2.870(31.14) | 100 | 1.740(52.55) | 100 | 3.320(26.83) | 100 | Irarsite | (Ir,Ru,Rh,Pt)AsS |
| 2.870(31.14) | 100 | 3.650(24.37) | 100 | 3.900(22.78) | 100 | Sahamalite-(Ce) | (Mg,Fe++)Ce2(CO3)4 |
| 2.870(31.14) | 100 | 1.760(51.91) | 30 | 3.090(28.87) | 30 | Akermanite | Ca2MgSi2O7 |
| 2.870(31.14) | 100 | 3.900(22.78) | 100 | 3.650(24.37) | 100 | Sahamalite-(Ce) | (Mg,Fe++)Ce2(CO3)4 |
| 2.870(31.14) | 100 | 1.900(47.83) | 80 | 1.998(45.35) | 80 | Belovite-(Ce) | (Sr,Ce,Na,Ca)5(PO4)3(OH) |
| 2.870(31.14) | 100 | 2.680(33.41) | 60 | 3.130(28.49) | 40 | Paakkonenite | Sb2AsS2 |
| 2.870(31.14) | 100 | 3.700(24.03) | 70 | 2.625(34.13) | 60 | Antimonselite | Sb2Se3 |
| 2.870(31.14) | 100 | 3.000(29.76) | 90 | 3.280(27.16) | 45 | Hiortdahlite | (Ca,Na,Y)3(Zr,Ti)Si2O7(F,O,OH)2 |
| 2.870(31.14) | 100 | 3.050(29.26) | 90 | 3.260(27.33) | 70 | Triplite | (Mn,Fe++,Mg,Ca)2(PO4)(F,OH) |
| 2.870(31.14) | 100 | 3.090(28.87) | 100 | 4.200(21.14) | 70 | Steenstrupine-(Ce) | Na14Ce6Mn++Mn+++Fe++2(Zr,Th)(Si6O18)2(PO4)7•3(H2O) |
| 2.872(31.11) | 100 | 2.743(32.62) | 100 | 5.511(16.07) | 80 | Gianellaite | Hg4(SO4)N2 |
| 2.872(31.11) | 100 | 2.829(31.60) | 78 | 10.361(8.53) | 69 | Chloroxiphite | Pb3CuCl2(OH)2O2 |
| 2.872(31.11) | 100 | 3.195(27.90) | 70 | 2.982(29.94) | 60 | Bustamite | (Mn,Ca)3Si3O9 |
| 2.872(31.11) | 100 | 11.510(7.67) | 100 | 3.065(29.11) | 47 | Tuscanite | K(Ca,Na)6(Si,Al)10O22(SO4,CO3,(OH)2)•(H2O) |
| 2.873(31.10) | 100 | 2.768(32.32) | 100 | 4.251(20.88) | 100 | Vuonnemite | Na11Nb2TiSi4O12(PO4)2O5F2 |
| 2.874(31.09) | 100 | 4.290(20.69) | 90 | 2.204(40.91) | 90 | Papagoite | CaCuAlSi2O6(OH)3 |
| 2.874(31.09) | 100 | 2.204(40.91) | 90 | 4.290(20.69) | 90 | Papagoite | CaCuAlSi2O6(OH)3 |
| 2.875(31.08) | 100 | 2.131(42.38) | 100 | 3.390(26.27) | 100 | Crichtonite | (Sr,La,Ce,Y)(Ti,Fe+++,Mn)21O38 |
| 2.876(31.07) | 100 | 2.068(43.74) | 60 | 4.340(20.45) | 40 | Coiraite | (Pb,Sn)12.5As3Sn5FeS28 |
| 2.877(31.06) | 100 | 3.974(22.35) | 28 | 1.878(48.43) | 26 | IMA2008-068 | Ca2Pb3(PO4)3F |
| 2.879(31.04) | 100 | 3.253(27.39) | 90 | 5.390(16.43) | 80 | Cervandonite-(Ce) | (Ce,Nd,La)(Fe+++,Fe++,Ti++++,Al)3(SiO7)1-x+y(AsO3)1+x-y(OH)3x-3y |
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