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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 |
| 2.944(30.34) | 100 | 2.857(31.28) | 100 | 4.625(19.17) | 100 | Thomsonite-Ca | NaCa2Al5Si5O20•6(H2O) |
| 2.945(30.32) | 100 | 5.710(15.51) | 95 | 3.503(25.41) | 40 | Zairite | Bi(Fe+++,Al)3(PO4)2(OH)6 |
| 2.945(30.32) | 100 | 1.801(50.64) | 100 | 1.537(60.15) | 90 | Calzirtite | CaZr3TiO9 |
| 2.946(30.31) | 100 | 3.011(29.64) | 100 | 2.814(31.77) | 90 | Sahlinite | Pb14(AsO4)2O9Cl4 |
| 2.946(30.31) | 100 | 3.134(28.46) | 89 | 3.109(28.69) | 69 | Tanohataite | LiMn2Si3O8(OH) |
| 2.946(30.31) | 100 | 3.180(28.04) | 82 | 2.241(40.21) | 74 | Jadarite | LiNaB3SiO7(OH) |
| 2.946(30.31) | 100 | 2.241(40.21) | 82 | 3.152(28.29) | 74 | Jadarite | LiNaB3SiO7(OH) |
| 2.947(30.30) | 100 | 2.550(35.16) | 70 | 2.691(33.27) | 65 | Rhonite | Ca2(Mg,Fe++,Fe+++,Ti)6(Si,Al)6O20 |
| 2.948(30.29) | 100 | 2.899(30.82) | 81 | 2.503(35.85) | 66 | Gartrellite | Pb(Cu,Fe++)2(AsO4,SO4)2(CO3,H2O)0.7 |
| 2.949(30.28) | 100 | 2.830(31.59) | 80 | 2.734(32.73) | 80 | Freedite | Pb8Cu+(As+++O3)2O3Cl5 |
| 2.949(30.28) | 100 | 2.734(32.73) | 80 | 2.830(31.59) | 80 | Freedite | Pb8Cu+(As+++O3)2O3Cl5 |
| 2.949(30.28) | 100 | 2.680(33.41) | 85 | 2.604(34.41) | 80 | Kirschsteinite | CaFe++SiO4 |
| 2.949(30.28) | 100 | 3.831(23.20) | 90 | 2.572(34.85) | 76 | Julgoldite-(Fe++) | Ca2Fe++(Fe+++,Al)2(SiO4)(Si2O7)(OH)2•(H2O) |
| 2.950(30.27) | 100 | 2.140(42.19) | 100 | 1.620(56.78) | 100 | Bismutite | Bi2(CO3)O2 |
| 2.950(30.27) | 100 | 1.550(59.60) | 90 | 1.810(50.37) | 90 | Yttrotantalite-(Y) | (Y,U,Fe++)(Ta,Nb)O4 |
| 2.950(30.27) | 100 | 1.818(50.14) | 100 | 1.552(59.51) | 100 | Uranmicrolite | (U,Ca)2(Ta,Nb)2O6(OH) |
| 2.950(30.27) | 100 | 2.520(35.60) | 100 | 1.610(57.17) | 100 | Maghemite | gamma-Fe+++2O3 |
| 2.950(30.27) | 100 | 2.570(34.88) | 80 | 4.800(18.47) | 70 | Julgoldite-(Fe+++) | Ca2Fe+++(Fe+++,Al)2(SiO4)(Si2O7)(O,OH)2•(H2O) |
| 2.950(30.27) | 100 | 1.810(50.37) | 90 | 1.550(59.60) | 90 | Yttrotantalite-(Y) | (Y,U,Fe++)(Ta,Nb)O4 |
| 2.950(30.27) | 100 | 2.070(43.69) | 80 | 3.650(24.37) | 80 | Hydroxylbastnasite-(La) | La(CO3)(OH) |
| 2.950(30.27) | 100 | 2.620(34.20) | 100 | 2.460(36.49) | 100 | Gaudefroyite | Ca4Mn+++3-x(BO3)3(CO3)(O,OH)3 |
| 2.950(30.27) | 100 | 5.710(15.51) | 70 | 3.500(25.43) | 70 | Florencite-(Ce) | CeAl3(PO4)2(OH)6 |
| 2.950(30.27) | 100 | 5.910(14.98) | 90 | 1.810(50.37) | 80 | Partzite | Cu2Sb2(O,OH)7 (?) |
| 2.950(30.27) | 100 | 3.680(24.16) | 60 | 2.640(33.93) | 60 | Wegscheiderite | Na5(CO3)(HCO3)3 |
| 2.950(30.27) | 100 | 6.000(14.75) | 80 | 1.827(49.87) | 80 | Romeite | (Ca,Fe++,Mn,Na)2(Sb,Ti)2O6(O,OH,F) |
| 2.950(30.27) | 100 | 2.070(43.69) | 80 | 1.943(46.71) | 80 | Hydroxylbastnasite-(La) | La(CO3)(OH) |
| 2.950(30.27) | 100 | 2.860(31.25) | 100 | 1.764(51.78) | 80 | Nordite-(La) | (Na,Mn)3(Sr,Ca)(La,Ce)(Zn,Mg)Si6O17 |
| 2.950(30.27) | 100 | 1.827(49.87) | 80 | 6.000(14.75) | 80 | Romeite | (Ca,Fe++,Mn,Na)2(Sb,Ti)2O6(O,OH,F) |
| 2.950(30.27) | 100 | 4.480(19.80) | 100 | 5.500(16.10) | 60 | Starkeyite | MgSO4•4(H2O) |
| 2.950(30.27) | 100 | 3.510(25.35) | 60 | 5.650(15.67) | 55 | Arsenoflorencite-(Nd) | (Nd,La,Ce,Ba)(Al,Fe+++)3(AsO4,PO4)2(OH)6 |
| 2.950(30.27) | 100 | 3.510(25.35) | 60 | 5.700(15.53) | 55 | Eylettersite | (Th,Pb)1-xAl3(PO4,SiO4)2(OH)6 (?) |
| 2.950(30.27) | 100 | 3.500(25.43) | 70 | 5.710(15.51) | 70 | Florencite-(Ce) | CeAl3(PO4)2(OH)6 |
| 2.950(30.27) | 100 | 3.410(26.11) | 50 | 4.200(21.14) | 40 | Otjisumeite | PbGe4O9 |
| 2.950(30.27) | 100 | 3.020(29.55) | 100 | 3.090(28.87) | 25 | Yttropyrochlore-(Y) | (Y,Na,Ca,U)1-2(Nb,Ta,Ti)2(O,OH)7 |
| 2.950(30.27) | 100 | 2.870(31.14) | 60 | 3.300(27.00) | 40 | Burpalite | Na2CaZrSi2O7F2 |
| 2.950(30.27) | 100 | 2.642(33.90) | 90 | 3.159(28.23) | 70 | Duhamelite | Pb2Cu4Bi(VO4)4(OH)3•8(H2O) |
| 2.950(30.27) | 100 | 2.640(33.93) | 60 | 3.680(24.16) | 60 | Wegscheiderite | Na5(CO3)(HCO3)3 |
| 2.950(30.27) | 100 | 2.180(41.38) | 70 | 3.120(28.59) | 60 | Pyroxmangite | (Mn,Fe++)SiO3 |
| 2.950(30.27) | 100 | 1.954(46.43) | 50 | 3.470(25.65) | 42 | Cerite-(Ce) | Ce+++9Fe+++(SiO4)6[(SiO3)(OH)](OH)3 |
| 2.950(30.27) | 100 | 1.943(46.71) | 80 | 2.070(43.69) | 80 | Hydroxylbastnasite-(La) | La(CO3)(OH) |
| 2.950(30.27) | 100 | 3.510(25.35) | 60 | 5.650(15.67) | 55 | Arsenoflorencite-(La) | (La,Sr)Al3(AsO4,SO4,PO4)2(OH)6 |
| 2.950(30.27) | 100 | 3.840(23.14) | 80 | 2.570(34.88) | 70 | Julgoldite-(Fe+++) | Ca2Fe+++(Fe+++,Al)2(SiO4)(Si2O7)(O,OH)2•(H2O) |
| 2.950(30.27) | 100 | 3.920(22.66) | 90 | 2.130(42.40) | 80 | Dimorphite | As4S3 |
| 2.950(30.27) | 100 | 3.650(24.37) | 50 | 2.510(35.74) | 30 | Ashanite | (Nb,Ta,U,Fe,Mn)4O8 |
| 2.950(30.27) | 100 | 3.780(23.52) | 80 | 2.460(36.49) | 35 | Otavite | CdCO3 |
| 2.951(30.26) | 100 | 2.799(31.95) | 52 | 1.835(49.64) | 46 | Cupropolybasite | [Cu6Sb2S7][Ag9CuS4] |
| 2.952(30.25) | 100 | 2.622(34.17) | 68 | 4.506(19.69) | 65 | Yedlinite | Pb6CrCl6(O,OH)8 |
| 2.952(30.25) | 100 | 2.448(36.68) | 100 | 4.370(20.30) | 70 | Purpurite | Mn+++PO4 |
| 2.953(30.24) | 100 | 3.360(26.51) | 25 | 4.960(17.87) | 25 | Foshagite | Ca4Si3O9(OH)2 |
| 2.953(30.24) | 100 | 4.960(17.87) | 25 | 3.360(26.51) | 25 | Foshagite | Ca4Si3O9(OH)2 |
| 2.955(30.22) | 100 | 4.360(20.35) | 92 | 3.705(24.00) | 90 | Ancylite-(La) | Sr(La,Ce)(CO3)2(OH)•(H2O) |
| 2.955(30.22) | 100 | 1.723(53.11) | 90 | 1.535(60.24) | 90 | Columbite-(Mg) | (Mg,Fe++,Mn)(Nb,Ta)2O6 |
| 2.955(30.22) | 100 | 1.535(60.24) | 90 | 1.723(53.11) | 90 | Columbite-(Mg) | (Mg,Fe++,Mn)(Nb,Ta)2O6 |
| 2.956(30.21) | 100 | 2.756(32.46) | 94 | 2.756(32.46) | 87 | Manganvesuvianite | Ca19Mn+++(Al,Mn+++,Fe+++)10(Mg,Mn++)2Si18O69(OH)9 |
| 2.957(30.20) | 100 | 1.627(56.52) | 60 | 2.752(32.51) | 60 | Asisite | Pb12(SiO4)O8Cl4 |
| 2.957(30.20) | 100 | 2.990(29.86) | 80 | 2.065(43.80) | 70 | Pyromorphite | Pb5(PO4)3Cl |
| 2.957(30.20) | 100 | 2.752(32.51) | 60 | 1.627(56.52) | 60 | Asisite | Pb12(SiO4)O8Cl4 |
| 2.958(30.19) | 100 | 4.850(18.28) | 90 | 4.910(18.05) | 84 | Meridianiite | MgSO4•11H2O |
| 2.958(30.19) | 100 | 2.812(31.80) | 100 | 3.006(29.70) | 100 | Kombatite | Pb14(VO4)2O9Cl4 |
| 2.958(30.19) | 100 | 3.470(25.65) | 40 | 3.310(26.91) | 38 | Cerite-(La) | (La,Ce,Ca)9(Mg,Fe+++)(SiO4)6[SiO3(OH)](OH)3 |
| 2.958(30.19) | 100 | 2.870(31.14) | 65 | 2.511(35.73) | 40 | Kosmochlor | NaCr+++Si2O6 |
| 2.959(30.18) | 100 | 1.530(60.46) | 50 | 1.981(45.76) | 35 | Stishovite | SiO2 |
| 2.959(30.18) | 100 | 1.837(49.58) | 90 | 3.178(28.05) | 90 | Lapieite | CuNiSbS3 |
| 2.959(30.18) | 100 | 1.903(47.75) | 90 | 3.514(25.32) | 90 | Kemmlitzite | (Sr,Ce)Al3(AsO4)(SO4)(OH)6 |
| 2.959(30.18) | 100 | 2.086(43.34) | 50 | 2.101(43.02) | 50 | Jonassonite | Au(Bi,Pb)5S4 |
| 2.959(30.18) | 100 | 4.901(18.09) | 92 | 2.975(30.01) | 47 | Minamiite | (Na,Ca,K)Al3(SO4)2(OH)6 |
| 2.959(30.18) | 100 | 5.010(17.69) | 70 | 4.330(20.49) | 40 | Ferrisicklerite | Li(Fe+++,Mn++)PO4 |
| 2.959(30.18) | 100 | 3.514(25.32) | 90 | 1.903(47.75) | 90 | Kemmlitzite | (Sr,Ce)Al3(AsO4)(SO4)(OH)6 |
| 2.959(30.18) | 100 | 2.101(43.02) | 50 | 2.086(43.34) | 50 | Jonassonite | Au(Bi,Pb)5S4 |
| 2.959(30.18) | 100 | 3.178(28.05) | 90 | 1.837(49.58) | 90 | Lapieite | CuNiSbS3 |
| 2.960(30.17) | 100 | 2.640(33.93) | 90 | 2.280(39.49) | 90 | Selenostephanite | Ag5Sb(Se,S)4 |
| 2.960(30.17) | 100 | 2.900(30.81) | 100 | 10.130(8.72) | 100 | Rudenkoite | Sr3Al3[(Si,Al)4O10](OH,O)8Cl2•H2O |
| 2.960(30.17) | 100 | 2.673(33.50) | 100 | 4.810(18.43) | 90 | Clinotyrolite | Ca2Cu9[(As,S)O4]4(OH)10•10(H2O) |
| 2.960(30.17) | 100 | 2.520(35.60) | 100 | 2.870(31.14) | 80 | Natalyite | Na(V+++,Cr+++)Si2O6 |
| 2.960(30.17) | 100 | 2.753(32.50) | 100 | 3.694(24.07) | 100 | Chladniite | Na2Ca(Mg,Fe++)7(PO4)6 |
| 2.960(30.17) | 100 | 2.825(31.65) | 100 | 7.140(12.39) | 80 | Alluaivite | Na19(Ca,Mn++)6(Ti,Nb)3(Si3O9)2(Si10O28)2Cl•2(H2O) |
| 2.960(30.17) | 100 | 3.940(22.55) | 100 | 3.050(29.26) | 100 | Catapleiite | (Na,Ca,[ ])2ZrSi3O9•2(H2O) |
| 2.960(30.17) | 100 | 1.722(53.14) | 80 | 1.450(64.18) | 80 | Lithiotantite | Li(Ta,Nb)3O8 |
| 2.960(30.17) | 100 | 5.340(16.59) | 65 | 2.820(31.70) | 65 | Perrierite-(Ce) | (Ce,La,Ca)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22 |
| 2.960(30.17) | 100 | 3.030(29.45) | 100 | 1.550(59.60) | 60 | Nioboaeschynite-(Ce) | (Ce,Ca)(Nb,Ti)2(O,OH)6 |
| 2.960(30.17) | 100 | 2.990(29.86) | 100 | 5.622(15.75) | 65 | Biehlite | (Sb,As)2MoO6 |
| 2.960(30.17) | 100 | 2.970(30.06) | 80 | 2.920(30.59) | 70 | Nambulite | (Li,Na)Mn++4[Si5O14(OH)] |
| 2.960(30.17) | 100 | 2.820(31.70) | 65 | 5.340(16.59) | 65 | Perrierite-(Ce) | (Ce,La,Ca)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22 |
| 2.960(30.17) | 100 | 2.280(39.49) | 90 | 2.640(33.93) | 90 | Selenostephanite | Ag5Sb(Se,S)4 |
| 2.960(30.17) | 100 | 2.059(43.94) | 86 | 3.494(25.47) | 65 | Proudite | Cu1.9Ag0.1Pb15.6Bi20.4Sb0.1S32.4Se14.5 |
| 2.960(30.17) | 100 | 1.814(50.25) | 45 | 1.546(59.77) | 40 | Betafite | (Ca,U)2(Ti,Nb,Ta)2O6(OH) |
| 2.960(30.17) | 100 | 1.773(51.50) | 80 | 3.650(24.37) | 70 | Qitianlingite | Fe++2Nb2W++++++O10 |
| 2.960(30.17) | 100 | 1.462(63.59) | 90 | 1.728(52.94) | 70 | Tantalite-(Mg) | (Mg,Fe)(Ta,Nb)2O6 |
| 2.960(30.17) | 100 | 3.040(29.36) | 70 | 3.160(28.22) | 60 | Calcjarlite | Na(Ca,Sr)3Al3(F,OH)16 |
| 2.960(30.17) | 100 | 3.050(29.26) | 100 | 3.940(22.55) | 100 | Catapleiite | (Na,Ca,[ ])2ZrSi3O9•2(H2O) |
| 2.960(30.17) | 100 | 3.060(29.16) | 80 | 3.960(22.43) | 80 | Calciocatapleiite | (Ca,[ ])ZrSi3O9•2(H2O) |
| 2.960(30.17) | 100 | 4.340(20.45) | 100 | 3.710(23.97) | 100 | Ancylite-(Ce) | SrCe(CO3)2(OH)•(H2O) |
| 2.960(30.17) | 100 | 3.960(22.43) | 80 | 3.060(29.16) | 80 | Calciocatapleiite | (Ca,[ ])ZrSi3O9•2(H2O) |
| 2.960(30.17) | 100 | 15.400(5.73) | 50 | 3.510(25.35) | 40 | Traskite | (Ba,Ca)9(Fe++,Mn)2Ti2(SiO3)12(OH,Cl,F)6•6(H2O) |
| 2.960(30.17) | 100 | 3.710(23.97) | 100 | 4.340(20.45) | 100 | Ancylite-(Ce) | SrCe(CO3)2(OH)•(H2O) |
| 2.960(30.17) | 100 | 3.700(24.03) | 90 | 3.480(25.58) | 50 | Coeruleolactite | (Ca,Cu)Al6(PO4)4(OH)8•4-5(H2O) |
| 2.960(30.17) | 100 | 3.660(24.30) | 50 | 1.721(53.18) | 20 | Tantalite-(Fe) | Fe++Ta2O6 |
| 2.960(30.17) | 100 | 3.420(26.03) | 90 | 3.240(27.51) | 70 | Thalfenisite | Tl6(Fe,Ni,Cu)25S26Cl |
| 2.960(30.17) | 100 | 3.350(26.59) | 75 | 3.370(26.43) | 70 | Monetite | CaHPO4 |
| 2.960(30.17) | 100 | 1.450(64.18) | 80 | 1.722(53.14) | 80 | Lithiotantite | Li(Ta,Nb)3O8 |
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