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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.
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 3.225(27.64) | 100 | 6.920(12.78) | 80 | 4.940(17.94) | 70 | Gjerdingenite-Fe | K2[(H2O)2(Fe,Mn)][(Nb,Ti)4(Si4O12)2(O,OH)4]•4(H2O) |
| 3.226(27.63) | 100 | 2.890(30.92) | 60 | 1.727(52.98) | 30 | Smirnite | Bi2Te++++O5 |
| 3.226(27.63) | 100 | 1.727(52.98) | 60 | 1.992(45.50) | 30 | Smirnite | Bi2Te++++O5 |
| 3.228(27.61) | 100 | 2.364(38.03) | 58 | 2.005(45.19) | 33 | Kochkarite | PbBi4Te7 |
| 3.228(27.61) | 100 | 2.625(34.13) | 81 | 5.119(17.31) | 77 | Cechite | Pb(Fe++,Mn)(VO4)(OH) |
| 3.228(27.61) | 100 | 5.059(17.52) | 65 | 3.726(23.86) | 50 | Yagiite | (Na,K)3Mg4(Al,Mg)6(Si,Al)24O60 |
| 3.229(27.60) | 100 | 2.880(31.03) | 80 | 4.097(21.67) | 70 | Oftedalite | (Sc,Ca)2KBe3Si12O30 |
| 3.230(27.59) | 100 | 10.500(8.41) | 100 | 4.490(19.76) | 80 | Palygorskite | (Mg,Al)2Si4O10(OH)•4(H2O) |
| 3.230(27.59) | 100 | 7.100(12.46) | 90 | 2.510(35.74) | 80 | Tsepinite-Sr | (Sr,Ba,K)(Ti,Nb)2(Si4O12)(OH,O)2•3(H2O) |
| 3.230(27.59) | 100 | 6.400(13.83) | 90 | 3.030(29.45) | 80 | Fairfieldite | Ca2(Mn,Fe++)(PO4)2•2(H2O) |
| 3.230(27.59) | 100 | 5.000(17.72) | 100 | 2.110(42.82) | 80 | Vanuranylite | (H3O,Ba,Ca,K)1.6(UO2)2V2O8•4(H2O) (?) |
| 3.230(27.59) | 100 | 2.510(35.74) | 90 | 3.135(28.45) | 80 | Tsepinite-Sr | (Sr,Ba,K)(Ti,Nb)2(Si4O12)(OH,O)2•3(H2O) |
| 3.230(27.59) | 100 | 5.120(17.31) | 80 | 2.900(30.81) | 80 | Descloizite | PbZn(VO4)(OH) |
| 3.230(27.59) | 100 | 2.280(39.49) | 80 | 1.950(46.53) | 80 | Miersite | (Ag,Cu)I |
| 3.230(27.59) | 100 | 1.570(58.76) | 70 | 1.153(83.84) | 70 | Asbecasite | Ca3(Ti,Sn)As+++6Si2Be2O20 |
| 3.230(27.59) | 100 | 2.880(31.03) | 100 | 2.600(34.47) | 80 | Arsendescloizite | PbZn(AsO4)(OH) |
| 3.230(27.59) | 100 | 1.375(68.14) | 100 | 3.550(25.06) | 100 | Julienite | Na2Co++(SCN)4•8(H2O) |
| 3.230(27.59) | 100 | 2.420(37.12) | 40 | 2.900(30.81) | 30 | Katayamalite | (K,Na)Ca7Li3Ti2[Si6O18]2(OH,F)2 |
| 3.230(27.59) | 100 | 4.650(19.07) | 90 | 3.040(29.36) | 80 | Keiviite-(Y) | (Y,Yb)2Si2O7 |
| 3.230(27.59) | 100 | 3.370(26.43) | 75 | 5.230(16.94) | 55 | Sazhinite-(Ce) | Na2Ce[Si6O14(OH)]•n(H2O), (n >= 1.5) |
| 3.230(27.59) | 100 | 2.220(40.60) | 90 | 1.736(52.68) | 80 | Colquiriite | CaLiAlF6 |
| 3.230(27.59) | 100 | 1.950(46.53) | 80 | 2.280(39.49) | 80 | Miersite | (Ag,Cu)I |
| 3.230(27.59) | 100 | 1.933(46.97) | 40 | 2.420(37.12) | 30 | Katayamalite | (K,Na)Ca7Li3Ti2[Si6O18]2(OH,F)2 |
| 3.230(27.59) | 100 | 1.894(47.99) | 90 | 1.097(89.20) | 40 | Manganoshadlunite | (Mn,Pb)(Cu,Fe)8S8 |
| 3.230(27.59) | 100 | 1.781(51.25) | 70 | 2.155(41.89) | 60 | Tranquillityite | Fe++8(Zr,Y)2Ti3Si3O24 |
| 3.230(27.59) | 100 | 1.687(54.34) | 90 | 2.480(36.19) | 80 | Ilmenorutile | (Ti,Nb,Fe+++)O2 |
| 3.230(27.59) | 100 | 1.153(83.84) | 70 | 1.570(58.76) | 70 | Asbecasite | Ca3(Ti,Sn)As+++6Si2Be2O20 |
| 3.230(27.59) | 100 | 2.280(39.49) | 80 | 1.442(64.58) | 50 | Altaite | PbTe |
| 3.230(27.59) | 100 | 2.351(38.25) | 37 | 2.228(40.45) | 31 | Tellurium | Te |
| 3.230(27.59) | 100 | 3.286(27.11) | 80 | 1.687(54.34) | 70 | Curetonite | Ba4Al3Ti(PO4)4(O,OH)6 |
| 3.230(27.59) | 100 | 2.900(30.81) | 80 | 5.120(17.31) | 80 | Descloizite | PbZn(VO4)(OH) |
| 3.230(27.59) | 100 | 2.360(38.10) | 60 | 2.210(40.80) | 50 | Tsumoite | BiTe |
| 3.231(27.58) | 100 | 4.180(21.24) | 45 | 2.846(31.41) | 42 | Poldervaartite | (Ca,Mn++)2SiO3(OH)2 |
| 3.232(27.58) | 100 | 2.236(40.30) | 40 | 2.486(36.10) | 34 | Henrymeyerite | BaFe++Ti7O16 |
| 3.233(27.57) | 100 | 5.943(14.89) | 100 | 3.067(29.09) | 60 | Paganoite | (Ni,Co)BiAsO5 |
| 3.233(27.57) | 100 | 2.595(34.53) | 90 | 2.989(29.87) | 90 | Titanite | CaTiSiO5 |
| 3.233(27.57) | 100 | 2.989(29.87) | 90 | 2.595(34.53) | 90 | Titanite | CaTiSiO5 |
| 3.234(27.56) | 100 | 3.015(29.60) | 100 | 3.338(26.68) | 100 | Olsacherite | Pb2(SeO4)(SO4) |
| 3.234(27.56) | 100 | 1.689(54.27) | 64 | 1.980(45.79) | 58 | Thorianite | ThO2 |
| 3.234(27.56) | 100 | 2.894(30.87) | 42 | 2.425(37.04) | 42 | IMA2009-004 | KCa7Sn2Li3Si12O36F2 |
| 3.234(27.56) | 100 | 2.425(37.04) | 42 | 2.894(30.87) | 42 | IMA2009-004 | KCa7Sn2Li3Si12O36F2 |
| 3.234(27.56) | 100 | 2.654(33.74) | 90 | 2.598(34.49) | 30 | Macphersonite | Pb4(SO4)(CO3)2(OH)2 |
| 3.234(27.56) | 100 | 3.074(29.02) | 68 | 2.973(30.03) | 39 | IMA2008-066 | Mn5(H2O)4(AsO3OH)2(AsO4)2 |
| 3.235(27.55) | 100 | 1.997(45.38) | 80 | 3.015(29.60) | 60 | Athabascaite | Cu5Se4 |
| 3.235(27.55) | 100 | 3.135(28.45) | 80 | 3.162(28.20) | 80 | Florkeite | (K3Ca2Na)[Al8Si8O32]•12H2O |
| 3.235(27.55) | 100 | 3.162(28.20) | 80 | 3.135(28.45) | 80 | Florkeite | (K3Ca2Na)[Al8Si8O32]•12H2O |
| 3.236(27.54) | 100 | 2.026(44.69) | 61 | 2.642(33.90) | 44 | Diversilite-(Ce) | Na2(Ba,K)6Ce2Fe++Ti3Si12O36(OH)3(OH,H2O)9 |
| 3.238(27.52) | 100 | 5.290(16.75) | 100 | 3.329(26.76) | 74 | Litvinskite | Na2([ ],Na,Mn)Zr[Si6O12(OH,O)6] |
| 3.239(27.52) | 100 | 3.116(28.62) | 40 | 2.725(32.84) | 30 | Atelestite | Bi8(AsO4)3(OH)5O5 |
| 3.240(27.51) | 100 | 2.270(39.67) | 70 | 2.720(32.90) | 40 | Tsumebite | Pb2Cu(PO4)(SO4)(OH) |
| 3.240(27.51) | 100 | 3.058(29.18) | 100 | 1.965(46.16) | 100 | Fergusonite-beta-(Ce) | (Ce,La,Nd)NbO4 |
| 3.240(27.51) | 100 | 7.170(12.33) | 80 | 5.080(17.44) | 80 | Osumilite-(Fe) | (K,Na)(Fe++,Mg)2(Al,Fe+++)3(Si,Al)12O30 |
| 3.240(27.51) | 100 | 5.080(17.44) | 100 | 3.750(23.71) | 100 | Chayesite | K(Mg,Fe++)4Fe+++(Si12O30) |
| 3.240(27.51) | 100 | 3.200(27.86) | 100 | 3.030(29.45) | 9 | Keiviite-(Yb) | (Yb,Y)2Si2O7 |
| 3.240(27.51) | 100 | 2.430(36.96) | 100 | 8.270(10.69) | 100 | Calclacite | Ca[Cl2/CH3COO]•10(H2O) |
| 3.240(27.51) | 100 | 3.194(27.91) | 100 | 2.156(41.87) | 80 | Bahianite | Al5Sb+++++3O14(OH)2 |
| 3.240(27.51) | 100 | 5.070(17.48) | 80 | 2.870(31.14) | 80 | Mottramite | PbCu(VO4)(OH) |
| 3.240(27.51) | 100 | 1.590(57.95) | 80 | 3.580(24.85) | 65 | Richellite | Ca3Fe+++10(PO4)8(OH)12•n(H2O) |
| 3.240(27.51) | 100 | 2.810(31.82) | 85 | 1.694(54.09) | 85 | Erlichmanite | OsS2 |
| 3.240(27.51) | 100 | 7.080(12.49) | 100 | 5.110(17.34) | 80 | Elpidite | Na2ZrSi6O15•3(H2O) |
| 3.240(27.51) | 100 | 5.080(17.44) | 80 | 7.170(12.33) | 80 | Osumilite-(Fe) | (K,Na)(Fe++,Mg)2(Al,Fe+++)3(Si,Al)12O30 |
| 3.240(27.51) | 100 | 2.870(31.14) | 80 | 5.070(17.48) | 80 | Mottramite | PbCu(VO4)(OH) |
| 3.240(27.51) | 100 | 3.750(23.71) | 100 | 5.080(17.44) | 100 | Chayesite | K(Mg,Fe++)4Fe+++(Si12O30) |
| 3.240(27.51) | 100 | 3.310(26.91) | 90 | 3.000(29.76) | 70 | Hyalophane | (K,Ba)Al(Si,Al)3O8 |
| 3.240(27.51) | 100 | 3.206(27.80) | 85 | 3.080(28.97) | 70 | Lazulite | MgAl2(PO4)2(OH)2 |
| 3.240(27.51) | 100 | 1.694(54.09) | 85 | 2.810(31.82) | 85 | Erlichmanite | OsS2 |
| 3.240(27.51) | 100 | 2.021(44.81) | 30 | 1.653(55.55) | 25 | Wulfenite | PbMoO4 |
| 3.240(27.51) | 100 | 2.091(43.23) | 90 | 1.619(56.82) | 80 | Chrysoberyl | BeAl2O4 |
| 3.240(27.51) | 100 | 2.900(30.81) | 70 | 2.270(39.67) | 40 | Tsumebite | Pb2Cu(PO4)(SO4)(OH) |
| 3.240(27.51) | 100 | 3.195(27.90) | 50 | 2.924(30.55) | 50 | Bogvadite | Na2SrBa2Al4F20 |
| 3.240(27.51) | 100 | 2.924(30.55) | 50 | 3.195(27.90) | 50 | Bogvadite | Na2SrBa2Al4F20 |
| 3.242(27.49) | 100 | 2.746(32.58) | 48 | 2.980(29.96) | 48 | Calderonite | Pb2Fe+++(VO4)2(OH) |
| 3.242(27.49) | 100 | 2.963(30.14) | 100 | 2.847(31.40) | 90 | Irhtemite | Ca4Mg(AsO3OH)2(AsO4)2•4(H2O) |
| 3.242(27.49) | 100 | 2.980(29.96) | 48 | 2.746(32.58) | 48 | Calderonite | Pb2Fe+++(VO4)2(OH) |
| 3.243(27.48) | 100 | 4.462(19.88) | 96 | 4.656(19.05) | 87 | Cobalttsumcorite | Pb(Co,Fe)2(AsO4)2(OH,H2O)2 |
| 3.244(27.47) | 100 | 2.863(31.22) | 90 | 4.663(19.02) | 90 | Tsumcorite | PbZnFe++(AsO4)2•(H2O) |
| 3.244(27.47) | 100 | 2.877(31.06) | 80 | 2.920(30.59) | 50 | Clinocervantite | Sb+++Sb+++++O4 |
| 3.244(27.47) | 100 | 4.663(19.02) | 90 | 2.863(31.22) | 90 | Tsumcorite | PbZnFe++(AsO4)2•(H2O) |
| 3.245(27.46) | 100 | 3.454(25.77) | 50 | 2.771(32.28) | 35 | Claudetite | As2O3 |
| 3.245(27.46) | 100 | 4.647(19.08) | 100 | 2.724(32.85) | 70 | Mawbyite | Pb(Fe+++Zn)2(AsO4)2(OH,H2O)2 |
| 3.245(27.46) | 100 | 1.687(54.34) | 50 | 2.489(36.06) | 41 | Rutile | TiO2 |
| 3.246(27.45) | 100 | 2.682(33.38) | 90 | 3.073(29.03) | 80 | Tilasite | CaMg(AsO4)F |
| 3.246(27.45) | 100 | 2.769(32.30) | 60 | 2.988(29.88) | 60 | Feinglosite | Pb2(Zn,Fe)[(As,S)O4]2•(H2O) |
| 3.246(27.45) | 100 | 2.105(42.93) | 90 | 5.910(14.98) | 90 | Magnesiodumortierite | (Mg,Ti,[ ])<1(Al,Mg)2Al4Si3O18-y(OH)yB y=2-3 |
| 3.246(27.45) | 100 | 5.910(14.98) | 90 | 2.105(42.93) | 90 | Magnesiodumortierite | (Mg,Ti,[ ])<1(Al,Mg)2Al4Si3O18-y(OH)yB y=2-3 |
| 3.246(27.45) | 100 | 2.988(29.88) | 60 | 2.769(32.30) | 60 | Feinglosite | Pb2(Zn,Fe)[(As,S)O4]2•(H2O) |
| 3.248(27.44) | 100 | 2.970(30.06) | 69 | 2.767(32.33) | 61 | Heyite | Pb5Fe++2(VO4)2O4 |
| 3.249(27.43) | 100 | 3.253(27.39) | 61 | 7.044(12.56) | 54 | Gjerdingenite-Na | (K,Na)2Na(Nb,Ti)4(Si4O12)2(OH,O)4•5H2O |
| 3.250(27.42) | 100 | 4.260(20.83) | 55 | 2.103(42.97) | 50 | Kuzminite | Hg2(Br,Cl)2 |
| 3.250(27.42) | 100 | 1.577(58.48) | 70 | 1.444(64.48) | 70 | Burovaite-Ca | (K,Na)4Ca2(Ti,Nb)8[Si4O12]4(OH,O)8•12H2O |
| 3.250(27.42) | 100 | 6.200(14.27) | 100 | 1.920(47.30) | 90 | Pseudo-autunite | (H3O)4Ca2(UO2)2(PO4)4•5(H2O) (?) |
| 3.250(27.42) | 100 | 1.660(55.29) | 35 | 2.024(44.74) | 35 | Stolzite | PbWO4 |
| 3.250(27.42) | 100 | 1.444(64.48) | 70 | 1.577(58.48) | 70 | Burovaite-Ca | (K,Na)4Ca2(Ti,Nb)8[Si4O12]4(OH,O)8•12H2O |
| 3.250(27.42) | 100 | 1.990(45.55) | 90 | 3.980(22.32) | 80 | Cebaite-(Ce) | Ba3Ce2(CO3)5F2 |
| 3.250(27.42) | 100 | 2.360(38.10) | 70 | 2.220(40.60) | 55 | Pilsenite | Bi4Te3 |
| 3.250(27.42) | 100 | 4.800(18.47) | 65 | 2.760(32.41) | 60 | Arsentsumebite | Pb2Cu(AsO4)(SO4)(OH) |
| 3.250(27.42) | 100 | 3.290(27.08) | 95 | 4.560(19.45) | 95 | Blodite | Na2Mg(SO4)2•4(H2O) |
| 3.250(27.42) | 100 | 3.490(25.50) | 70 | 2.840(31.47) | 60 | Owyheeite | Pb7Ag2(Sb,Bi)8S20 |
| 3.250(27.42) | 100 | 3.800(23.39) | 100 | 3.450(25.80) | 90 | Molybdite | MoO3 |
| 3.250(27.42) | 100 | 2.610(34.33) | 100 | 4.080(21.76) | 100 | Thorosteenstrupine | (Ca,Th,Mn)3Si4O11F•6(H2O) |