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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 |
| 2.813(31.78) | 100 | 1.896(47.94) | 75 | 3.048(29.28) | 65 | Covellite | CuS |
| 2.813(31.78) | 100 | 5.630(15.73) | 90 | 2.860(31.25) | 70 | Criddleite | TlAg2Au3Sb10S10 |
| 2.814(31.77) | 100 | 2.720(32.90) | 60 | 2.778(32.20) | 60 | Apatite-(CaOH) | Ca5(PO4)3(OH) |
| 2.814(31.77) | 100 | 3.017(29.58) | 70 | 3.640(24.43) | 65 | Fillowite | Na2Ca(Mn,Fe++)7(PO4)6 |
| 2.814(31.77) | 100 | 3.077(28.99) | 100 | 3.630(24.50) | 90 | Gillulyite | Tl2(As,Sb)8S13 |
| 2.814(31.77) | 100 | 2.778(32.20) | 60 | 2.720(32.90) | 60 | Apatite-(CaOH) | Ca5(PO4)3(OH) |
| 2.816(31.75) | 100 | 2.540(35.31) | 100 | 3.528(25.22) | 100 | Junitoite | CaZn2Si2O7•(H2O) |
| 2.817(31.74) | 100 | 4.360(20.35) | 80 | 2.594(34.55) | 70 | Weloganite | Sr3Na2Zr(CO3)6•3(H2O) |
| 2.817(31.74) | 100 | 3.747(23.73) | 80 | 2.505(35.82) | 80 | Stanfieldite | Ca4(Mg,Fe++,Mn)5(PO4)6 |
| 2.817(31.74) | 100 | 2.505(35.82) | 80 | 3.747(23.73) | 80 | Stanfieldite | Ca4(Mg,Fe++,Mn)5(PO4)6 |
| 2.818(31.73) | 100 | 3.650(24.37) | 90 | 1.744(52.42) | 80 | Tusionite | MnSn++++(BO3)2 |
| 2.819(31.72) | 100 | 3.077(28.99) | 80 | 3.209(27.78) | 60 | Joosteite | (Mn++,Mn+++,Fe+++)2(PO4)O |
| 2.820(31.70) | 100 | 2.870(31.14) | 30 | 3.580(24.85) | 30 | Sergeevite | Ca2Mg11(CO3)9(HCO3)4(OH)4•6(H2O) |
| 2.820(31.70) | 100 | 3.370(26.43) | 90 | 3.240(27.51) | 90 | Borodaevite | Ag5(Bi,Sb)9S16 |
| 2.820(31.70) | 100 | 2.870(31.14) | 30 | 1.965(46.16) | 30 | Sergeevite | Ca2Mg11(CO3)9(HCO3)4(OH)4•6(H2O) |
| 2.820(31.70) | 100 | 6.210(14.25) | 80 | 2.870(31.14) | 80 | Warikahnite | Zn3(AsO4)2•2(H2O) |
| 2.820(31.70) | 100 | 2.910(30.70) | 100 | 3.440(25.88) | 100 | Franckeite | (Pb,Sn)6Fe++Sn2Sb2S14 |
| 2.820(31.70) | 100 | 1.920(47.30) | 60 | 2.060(43.92) | 50 | Melonite | NiTe2 |
| 2.820(31.70) | 100 | 5.400(16.40) | 100 | 5.000(17.72) | 100 | Atacamite | Cu2Cl(OH)3 |
| 2.820(31.70) | 100 | 2.880(31.03) | 70 | 2.570(34.88) | 70 | Sursassite | Mn++2Al3(SiO4)(Si2O7)(OH)3 |
| 2.820(31.70) | 100 | 2.910(30.70) | 100 | 2.860(31.25) | 100 | Franckeite | (Pb,Sn)6Fe++Sn2Sb2S14 |
| 2.820(31.70) | 100 | 5.000(17.72) | 100 | 5.400(16.40) | 100 | Atacamite | Cu2Cl(OH)3 |
| 2.820(31.70) | 100 | 3.440(25.88) | 100 | 2.910(30.70) | 100 | Franckeite | (Pb,Sn)6Fe++Sn2Sb2S14 |
| 2.820(31.70) | 100 | 3.240(27.51) | 90 | 3.370(26.43) | 90 | Borodaevite | Ag5(Bi,Sb)9S16 |
| 2.820(31.70) | 100 | 3.220(27.68) | 40 | 1.940(46.79) | 30 | Aramayoite | Ag3Sb2(Sb,Bi)S6 |
| 2.820(31.70) | 100 | 3.210(27.77) | 80 | 2.720(32.90) | 60 | Smithite | AgAsS2 |
| 2.820(31.70) | 100 | 3.120(28.59) | 100 | 4.010(22.15) | 80 | Mcbirneyite | Cu3(VO4)2 |
| 2.820(31.70) | 100 | 3.010(29.65) | 90 | 6.030(14.68) | 55 | Rhabdophane-(Ce) | (Ce,La)PO4•(H2O) |
| 2.820(31.70) | 100 | 2.870(31.14) | 80 | 6.210(14.25) | 80 | Warikahnite | Zn3(AsO4)2•2(H2O) |
| 2.820(31.70) | 100 | 2.570(34.88) | 70 | 2.880(31.03) | 70 | Sursassite | Mn++2Al3(SiO4)(Si2O7)(OH)3 |
| 2.820(31.70) | 100 | 2.450(36.65) | 38 | 1.485(62.49) | 33 | Cleusonite | Pb(U++++,U++++++)(Ti,Fe++,Fe+++)20(O,OH)38 |
| 2.820(31.70) | 100 | 1.965(46.16) | 30 | 2.870(31.14) | 30 | Sergeevite | Ca2Mg11(CO3)9(HCO3)4(OH)4•6(H2O) |
| 2.820(31.70) | 100 | 1.549(59.64) | 60 | 1.920(47.30) | 50 | Melonite | NiTe2 |
| 2.820(31.70) | 100 | 3.270(27.25) | 70 | 1.961(46.26) | 60 | Schirmerite | Ag3Pb3Bi9S18 to Ag3Pb6Bi7S18 |
| 2.820(31.70) | 100 | 3.440(25.88) | 90 | 2.117(42.67) | 50 | Trimounsite-(Y) | (Y,REE)2Ti2SiO9 |
| 2.821(31.69) | 100 | 2.987(29.89) | 64 | 3.137(28.43) | 33 | Pyrophosphite | K2CaP2O7 |
| 2.821(31.69) | 100 | 3.620(24.57) | 75 | 3.100(28.77) | 65 | Cascandite | Ca(Sc,Fe++)Si3O8(OH) |
| 2.821(31.69) | 100 | 1.994(45.45) | 55 | 1.628(56.48) | 15 | Halite | NaCl |
| 2.821(31.69) | 100 | 2.551(35.15) | 80 | 2.806(31.87) | 70 | Dellaite | Ca6Si3O11(OH)2 |
| 2.822(31.68) | 100 | 3.363(26.48) | 50 | 3.118(28.61) | 27 | Sicherite | TlAg2(As,Sb)3S6 |
| 2.823(31.67) | 100 | 3.587(24.80) | 86 | 2.778(32.20) | 84 | Jentschite | TlPbAs2SbS6 |
| 2.824(31.66) | 100 | 3.030(29.45) | 80 | 2.724(32.85) | 60 | Killalaite | 2Ca3Si2O7•(H2O) |
| 2.825(31.65) | 100 | 1.905(47.70) | 98 | 2.579(34.76) | 81 | Milotaite | PdSbSe |
| 2.825(31.65) | 100 | 2.960(30.17) | 100 | 7.140(12.39) | 80 | Alluaivite | Na19(Ca,Mn++)6(Ti,Nb)3(Si3O9)2(Si10O28)2Cl•2(H2O) |
| 2.826(31.63) | 100 | 2.775(32.23) | 58 | 2.737(32.69) | 46 | IMA2009-005 | (Y,Ca,REE)5[(Si,P)O4]3F |
| 2.826(31.63) | 100 | 2.602(34.44) | 56 | 2.334(38.54) | 33 | Natroxalate | Na2C2O4 |
| 2.827(31.62) | 100 | 1.854(49.10) | 100 | 3.014(29.61) | 100 | Saryarkite-(Y) | Ca(Y,Th)Al5(SiO4)2(PO4,SO4)2(OH)7•6(H2O) |
| 2.827(31.62) | 100 | 3.300(27.00) | 80 | 2.030(44.60) | 60 | Matildite | AgBiS2 |
| 2.828(31.61) | 100 | 9.310(9.49) | 90 | 5.340(16.59) | 60 | Segelerite | CaMgFe+++(PO4)2(OH)•4(H2O) |
| 2.829(31.60) | 100 | 2.270(39.67) | 90 | 2.531(35.44) | 71 | Mineevite-(Y) | Na25Ba(Y,Gd,Dy)2(HCO3)4(CO3)11(SO4)2ClF2 |
| 2.829(31.60) | 100 | 2.836(31.52) | 80 | 2.438(36.84) | 50 | Ernstite | (Mn++1-xFe+++x)Al(PO4)(OH)2-xOx |
| 2.830(31.59) | 100 | 2.700(33.15) | 100 | 3.060(29.16) | 100 | Saneroite | Na2(Mn++,Fe+++)10Si11V+++++O34(OH)4 |
| 2.830(31.59) | 100 | 6.610(13.38) | 90 | 3.180(28.04) | 90 | Afwillite | Ca3Si2O4(OH)6 |
| 2.830(31.59) | 100 | 2.680(33.41) | 60 | 1.693(54.13) | 50 | Arseniopleite | (Ca,Na)(Na,Pb)Mn++(Mn++,Mg,Fe++)2(AsO4)3 |
| 2.830(31.59) | 100 | 2.750(32.53) | 80 | 3.150(28.31) | 70 | Cafarsite | Ca8(Ti,Fe++,Fe+++,Mn)6-7(As+++O3)12•4(H2O) |
| 2.830(31.59) | 100 | 2.845(31.42) | 30 | 2.009(45.09) | 28 | Barioperovskite | BaTiO3 |
| 2.830(31.59) | 100 | 2.420(37.12) | 90 | 2.920(30.59) | 80 | Jadeite | Na(Al,Fe+++)Si2O6 |
| 2.830(31.59) | 100 | 2.110(42.82) | 90 | 1.780(51.28) | 80 | Landauite | NaMnZn2(Ti,Fe+++)6Ti12O38 |
| 2.830(31.59) | 100 | 1.778(51.35) | 90 | 1.840(49.50) | 80 | Lomonosovite | Na5Ti2O2(Si2O7)(PO4) |
| 2.830(31.59) | 100 | 3.130(28.49) | 100 | 2.560(35.02) | 90 | Gadolinite-(Y) | Y2Fe++Be2Si2O10 |
| 2.830(31.59) | 100 | 1.710(53.55) | 80 | 1.090(89.93) | 60 | Vaesite | NiS2 |
| 2.830(31.59) | 100 | 1.670(54.94) | 80 | 2.360(38.10) | 70 | Linnaeite | Co++Co+++2S4 |
| 2.830(31.59) | 100 | 1.693(54.13) | 60 | 2.990(29.86) | 50 | Arseniopleite | (Ca,Na)(Na,Pb)Mn++(Mn++,Mg,Fe++)2(AsO4)3 |
| 2.830(31.59) | 100 | 2.990(29.86) | 100 | 2.140(42.19) | 50 | Tristramite | (Ca,U++++,Fe+++)(PO4,SO4)•2(H2O) |
| 2.830(31.59) | 100 | 3.060(29.16) | 70 | 2.120(42.61) | 60 | Sinjarite | CaCl2•2(H2O) |
| 2.830(31.59) | 100 | 3.110(28.68) | 100 | 2.540(35.31) | 90 | Minasgeraisite-(Y) | CaY2Be2Si2O10 |
| 2.830(31.59) | 100 | 2.853(31.33) | 63 | 2.565(34.95) | 55 | Ternesite | Ca5(SiO4)2SO4 |
| 2.830(31.59) | 100 | 3.480(25.58) | 80 | 2.980(29.96) | 70 | Freieslebenite | AgPbSbS3 |
| 2.830(31.59) | 100 | 3.180(28.04) | 90 | 6.610(13.38) | 90 | Afwillite | Ca3Si2O4(OH)6 |
| 2.830(31.59) | 100 | 3.260(27.33) | 90 | 1.998(45.35) | 80 | Cuboargyrite | AgSbS |
| 2.831(31.58) | 100 | 2.767(32.33) | 100 | 4.620(19.20) | 90 | Clearcreekite | Hg+3(CO3)(OH)•2(H2O) |
| 2.831(31.58) | 100 | 3.048(29.28) | 70 | 3.910(22.72) | 60 | Skinnerite | Cu3SbS3 |
| 2.831(31.58) | 1.631(56.36) | 1.415(65.96) | Hapkeite | Fe2Si | |||
| 2.831(31.58) | 100 | 2.501(35.88) | 70 | 2.566(34.94) | 50 | Fayalite | Fe++2SiO4 |
| 2.831(31.58) | 2.000(45.30) | 1.631(56.36) | Hapkeite | Fe2Si | |||
| 2.831(31.58) | 1.631(56.36) | 2.000(45.30) | Hapkeite | Fe2Si | |||
| 2.832(31.57) | 100 | 9.400(9.40) | 80 | 5.290(16.75) | 60 | Overite | CaMgAl(PO4)2(OH)•4(H2O) |
| 2.832(31.57) | 100 | 3.493(25.48) | 100 | 4.150(21.39) | 90 | Parapierrotite | Tl(Sb,As)5S8 |
| 2.832(31.57) | 100 | 3.242(27.49) | 42 | 2.615(34.26) | 35 | Jasmundite | Ca11(SiO4)4O2S |
| 2.833(31.55) | 100 | 4.804(18.45) | 86 | 2.807(31.85) | 82 | Hennomartinite | SrMn+++2Si2O7(OH)2•(H2O) |
| 2.833(31.55) | 100 | 2.773(32.26) | 80 | 4.870(18.20) | 70 | Laphamite | As2(Se,S)3 |
| 2.833(31.55) | 100 | 1.972(45.98) | 30 | 2.888(30.94) | 20 | Huntite | CaMg3(CO3)4 |
| 2.836(31.52) | 100 | 3.480(25.58) | 80 | 2.809(31.83) | 80 | Britholite-(Ce) | (Ce,Ca,Th,La,Nd)5(SiO4,PO4)3(OH,F) |
| 2.836(31.52) | 100 | 4.013(22.13) | 35 | 2.006(45.16) | 29 | Lakargiite | CaZrO3 |
| 2.836(31.52) | 100 | 2.809(31.83) | 80 | 3.480(25.58) | 80 | Britholite-(Ce) | (Ce,Ca,Th,La,Nd)5(SiO4,PO4)3(OH,F) |
| 2.837(31.51) | 100 | 2.572(34.85) | 80 | 1.701(53.85) | 80 | Whitlockite | Ca9(Mg,Fe++)(PO4)6(PO3OH) |
| 2.837(31.51) | 100 | 1.701(53.85) | 80 | 2.572(34.85) | 80 | Whitlockite | Ca9(Mg,Fe++)(PO4)6(PO3OH) |
| 2.837(31.51) | 100 | 2.695(33.22) | 80 | 3.940(22.55) | 60 | Pinchite | Hg++5O4Cl2 |
| 2.837(31.51) | 100 | 11.600(7.61) | 93 | 3.870(22.96) | 75 | Tvedalite | (Ca,Mn++)4Be3Si6O17(OH)4•3(H2O) |
| 2.838(31.50) | 100 | 2.583(34.70) | 80 | 3.582(24.84) | 80 | Holdenite | (Mn,Mg)6Zn3(AsO4)2(SiO4)(OH)8 |
| 2.838(31.50) | 100 | 3.582(24.84) | 80 | 2.583(34.70) | 80 | Holdenite | (Mn,Mg)6Zn3(AsO4)2(SiO4)(OH)8 |
| 2.838(31.50) | 100 | 2.740(32.65) | 53 | 2.814(31.77) | 48 | Fluorcaphite | (Ca,Sr,Ce,Na)5(PO4)3F |
| 2.839(31.49) | 100 | 2.782(32.15) | 90 | 2.833(31.55) | 90 | Janhaugite | (Na,Ca)3(Mn++,Fe++)3(Ti++++,Zr,Nb)2Si4O15(OH,F,O)3 |
| 2.839(31.49) | 100 | 2.961(30.16) | 91 | 11.385(7.76) | 43 | Kentbrooksite | (Na,REE)15(Ca,REE)6Mn++Zr3NbSi25O74F2•2(H2O) |
| 2.839(31.49) | 100 | 2.998(29.78) | 70 | 3.250(27.42) | 60 | Wohlerite | NaCa2(Zr,Nb)Si2O7(O,OH,F)2 |
| 2.839(31.49) | 100 | 3.150(28.31) | 90 | 3.015(29.60) | 80 | Grischunite | NaCa2Mn++5Fe+++(AsO4)6•2(H2O) |
| 2.839(31.49) | 100 | 4.368(20.31) | 70 | 6.103(14.50) | 40 | Donnayite-(Y) | Sr3NaCaY(CO3)6•3(H2O) |
| 2.839(31.49) | 100 | 2.833(31.55) | 90 | 2.782(32.15) | 90 | Janhaugite | (Na,Ca)3(Mn++,Fe++)3(Ti++++,Zr,Nb)2Si4O15(OH,F,O)3 |
| 2.839(31.49) | 100 | 2.774(32.24) | 100 | 3.964(22.41) | 60 | Bario-olgite | Na(Ba,Sr,Na,REE)PO4 |
| 2.840(31.47) | 90 | 1.440(64.68) | 90 | 1.690(54.23) | 85 | Romanite | (Fe++,U,Pb)2(Ti,Fe+++)O4 |