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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 |
| 3.342(26.65) | 100 | 4.257(20.85) | 22 | 1.818(50.14) | 14 | Quartz | SiO2 |
| 3.342(26.65) | 100 | 4.732(18.74) | 100 | 3.024(29.51) | 70 | Dwornikite | (Ni,Fe++)SO4•(H2O) |
| 3.343(26.64) | 100 | 2.961(30.16) | 80 | 2.848(31.38) | 45 | Lanarkite | Pb2(SO4)O |
| 3.343(26.64) | 100 | 3.029(29.46) | 63 | 3.060(29.16) | 50 | Erniggliite | Tl2SnAs2S6 |
| 3.345(26.63) | 100 | 3.220(27.68) | 80 | 1.871(48.62) | 50 | Caminite | Mg7(SO4)5(OH)4•(H2O) |
| 3.348(26.60) | 100 | 3.134(28.46) | 85 | 12.450(7.09) | 70 | Charoite | K5Ca8(Si6O15)2(Si2O7)Si4O9(OH)•3(H2O) |
| 3.350(26.59) | 100 | 3.260(27.33) | 80 | 3.070(29.06) | 80 | Inderborite | CaMg[B3O3(OH)5]2•6(H2O) |
| 3.350(26.59) | 100 | 3.470(25.65) | 100 | 3.020(29.55) | 95 | Celsian | BaAl2Si2O8 |
| 3.350(26.59) | 100 | 3.360(26.51) | 100 | 4.670(18.99) | 90 | Dorfmanite | Na2(PO3OH)•2(H2O) |
| 3.350(26.59) | 100 | 3.140(28.40) | 90 | 2.620(34.20) | 70 | Zeravshanite | Cs4Na2Zr3(Si18O45)(H2O)2 |
| 3.350(26.59) | 100 | 3.130(28.49) | 90 | 1.950(46.53) | 80 | Schultenite | PbHAsO4 |
| 3.350(26.59) | 100 | 3.070(29.06) | 80 | 3.260(27.33) | 80 | Inderborite | CaMg[B3O3(OH)5]2•6(H2O) |
| 3.350(26.59) | 100 | 1.675(54.76) | 80 | 1.541(59.98) | 60 | Graphite | C |
| 3.350(26.59) | 100 | 1.932(46.99) | 70 | 2.193(41.13) | 50 | Danalite | Fe++4Be3(SiO4)3S |
| 3.350(26.59) | 100 | 2.863(31.22) | 95 | 1.980(45.79) | 35 | Cinnabar | HgS |
| 3.350(26.59) | 100 | 3.060(29.16) | 90 | 4.250(20.88) | 60 | Faizievite | K2Na(Ca6Na)Ti4Li6Si24O66F2 |
| 3.351(26.58) | 100 | 1.768(51.66) | 80 | 2.942(30.36) | 80 | Laforetite | AgInS2 |
| 3.351(26.58) | 100 | 2.942(30.36) | 80 | 1.768(51.66) | 80 | Laforetite | AgInS2 |
| 3.351(26.58) | 100 | 2.644(33.88) | 81 | 1.765(51.75) | 63 | Cassiterite | SnO2 |
| 3.360(26.51) | 100 | 3.350(26.59) | 100 | 4.670(18.99) | 90 | Dorfmanite | Na2(PO3OH)•2(H2O) |
| 3.360(26.51) | 100 | 3.200(27.86) | 70 | 2.040(44.37) | 70 | Giniite | Fe++Fe+++4(PO4)4(OH)2•2(H2O) |
| 3.360(26.51) | 100 | 8.970(9.85) | 20 | 1.682(54.51) | 20 | Sidorenkite | Na3Mn(PO4)(CO3) |
| 3.360(26.51) | 100 | 4.230(20.98) | 50 | 1.640(56.03) | 50 | Ilsemannite | Mo3O8•n(H2O) (?) |
| 3.360(26.51) | 100 | 4.640(19.11) | 85 | 5.280(16.78) | 75 | Downeyite | SeO2 |
| 3.360(26.51) | 100 | 4.620(19.20) | 100 | 2.340(38.44) | 80 | Bottinoite | NiSb+++++2(OH)12•6(H2O) |
| 3.360(26.51) | 100 | 4.430(20.03) | 100 | 4.660(19.03) | 80 | Sinoite | Si2N2O |
| 3.360(26.51) | 100 | 1.640(56.03) | 50 | 4.230(20.98) | 50 | Ilsemannite | Mo3O8•n(H2O) (?) |
| 3.360(26.51) | 100 | 1.682(54.51) | 20 | 8.970(9.85) | 20 | Sidorenkite | Na3Mn(PO4)(CO3) |
| 3.360(26.51) | 100 | 2.040(44.37) | 70 | 3.200(27.86) | 70 | Giniite | Fe++Fe+++4(PO4)4(OH)2•2(H2O) |
| 3.360(26.51) | 100 | 2.058(43.96) | 80 | 1.753(52.13) | 60 | Hawleyite | CdS |
| 3.360(26.51) | 100 | 2.870(31.14) | 60 | 2.960(30.17) | 50 | Eskimoite | Ag7Pb10Bi15S36 |
| 3.360(26.51) | 100 | 2.870(31.14) | 60 | 2.960(30.17) | 50 | Ourayite | Pb4Ag3Bi5S13 |
| 3.360(26.51) | 100 | 3.520(25.28) | 85 | 5.600(15.81) | 70 | Santite | KB5O6(OH)4•2(H2O) |
| 3.361(26.50) | 100 | 3.313(26.89) | 80 | 4.840(18.31) | 60 | Barbosalite | Fe++Fe+++2(PO4)2(OH)2 |
| 3.362(26.49) | 100 | 3.965(22.40) | 90 | 2.733(32.74) | 70 | Eucryptite | LiAlSiO4 |
| 3.363(26.48) | 100 | 2.996(29.80) | 100 | 2.895(30.86) | 100 | Gustavite | PbAgBi3S6 (?) |
| 3.364(26.47) | 100 | 3.897(22.80) | 70 | 4.329(20.50) | 70 | Filatovite | K[(Al,Zn)2(As,Si)2O8] |
| 3.364(26.47) | 100 | 4.329(20.50) | 70 | 3.897(22.80) | 70 | Filatovite | K[(Al,Zn)2(As,Si)2O8] |
| 3.367(26.45) | 100 | 2.592(34.58) | 90 | 1.754(52.10) | 90 | Tapiolite-(Mn) | (Mn++,Fe++)(Ta,Nb)2O6 |
| 3.367(26.45) | 100 | 7.240(12.21) | 100 | 3.068(29.08) | 80 | Bannermanite | (Na,K)0.7V+++++6O15 |
| 3.367(26.45) | 100 | 10.200(8.66) | 100 | 2.644(33.88) | 80 | Siderophyllite | KFe++2Al(Al2Si2)O10(F,OH)2 |
| 3.367(26.45) | 100 | 1.754(52.10) | 90 | 2.592(34.58) | 90 | Tapiolite-(Mn) | (Mn++,Fe++)(Ta,Nb)2O6 |
| 3.369(26.43) | 100 | 4.280(20.74) | 25 | 1.835(49.64) | 16 | Berlinite | AlPO4 |
| 3.370(26.43) | 100 | 2.020(44.83) | 55 | 2.520(35.60) | 55 | Kinoshitalite | (Ba,K)(Mg,Mn,Al)3Si2Al2O10(OH)2 |
| 3.370(26.43) | 100 | 2.057(43.98) | 90 | 1.756(52.04) | 80 | Gananite | BiF3 |
| 3.370(26.43) | 100 | 2.409(37.30) | 85 | 3.220(27.68) | 75 | Litidionite | KNaCuSi4O10 |
| 3.370(26.43) | 100 | 2.640(33.93) | 64 | 3.310(26.91) | 58 | Arapovite | (U,Th)(Ca,Na)2(K1-x[ ]x)Si8O20•H2O, x=0.5 |
| 3.370(26.43) | 100 | 3.180(28.04) | 80 | 8.700(10.16) | 60 | Sainfeldite | Ca5(AsO3OH)2(AsO4)2•4(H2O) |
| 3.370(26.43) | 100 | 2.520(35.60) | 55 | 2.020(44.83) | 55 | Kinoshitalite | (Ba,K)(Mg,Mn,Al)3Si2Al2O10(OH)2 |
| 3.370(26.43) | 100 | 3.460(25.73) | 100 | 4.200(21.14) | 90 | Bikitaite | Li2[Al2Si4O12]•2(H2O) |
| 3.370(26.43) | 100 | 10.100(8.75) | 100 | 2.660(33.67) | 80 | Biotite | K(Mg,Fe++)3[AlSi3O10(OH,F)2 |
| 3.370(26.43) | 100 | 11.300(7.82) | 100 | 3.860(23.02) | 80 | Boggsite | NaCa2(Al5Si19O48)•17(H2O) |
| 3.370(26.43) | 100 | 3.260(27.33) | 90 | 3.900(22.78) | 30 | Rayite | (Ag,Tl)2Pb8Sb8S21 |
| 3.370(26.43) | 100 | 3.300(27.00) | 100 | 5.090(17.41) | 100 | Jungite | Ca2Zn4Fe+++8(PO4)9(OH)9•16(H2O) |
| 3.376(26.38) | 100 | 8.583(10.30) | 100 | 3.386(26.30) | 100 | Sekaninaite | (Fe++,Mg)2Al4Si5O18 |
| 3.376(26.38) | 100 | 3.203(27.83) | 80 | 2.584(34.69) | 70 | Lucasite-(Ce) | CeTi2(O,OH)6 |
| 3.376(26.38) | 100 | 3.386(26.30) | 100 | 8.583(10.30) | 100 | Sekaninaite | (Fe++,Mg)2Al4Si5O18 |
| 3.380(26.35) | 100 | 3.000(29.76) | 30 | 2.793(32.02) | 30 | Thadeuite | (Ca,Mn++)(Mg,Fe++,Mn+++)3(PO4)2(OH,F)2 |
| 3.380(26.35) | 100 | 7.320(12.08) | 90 | 5.220(16.97) | 90 | Steacyite | K1-x(Ca,Na)2ThSi8O20 (x=0.2 to 0.4) |
| 3.380(26.35) | 100 | 3.780(23.52) | 70 | 2.840(31.47) | 70 | Dadsonite | Pb21Sb23S55Cl |
| 3.380(26.35) | 100 | 2.000(45.30) | 100 | 3.400(26.19) | 100 | Ardaite | Pb19Sb13S35Cl7 |
| 3.380(26.35) | 100 | 2.190(41.19) | 80 | 1.512(61.25) | 80 | Boromullite | Al4.5SiB0.5O9.5 |
| 3.380(26.35) | 100 | 2.979(29.97) | 100 | 6.430(13.76) | 50 | Phoenicochroite | Pb2(CrO4)O |
| 3.380(26.35) | 100 | 2.920(30.59) | 100 | 3.020(29.55) | 80 | Barylite | BaBe2Si2O7 |
| 3.380(26.35) | 100 | 5.220(16.97) | 90 | 7.320(12.08) | 90 | Steacyite | K1-x(Ca,Na)2ThSi8O20 (x=0.2 to 0.4) |
| 3.380(26.35) | 100 | 3.520(25.28) | 100 | 2.070(43.69) | 60 | Lausenite | Fe+++2(SO4)3•6(H2O) |
| 3.380(26.35) | 100 | 2.903(30.77) | 50 | 2.787(32.09) | 45 | Minium | Pb++2Pb++++O4 |
| 3.380(26.35) | 100 | 2.840(31.47) | 70 | 3.780(23.52) | 70 | Dadsonite | Pb21Sb23S55Cl |
| 3.380(26.35) | 100 | 5.600(15.81) | 100 | 6.800(13.01) | 60 | Minyulite | KAl2(PO4)2(OH,F)•4(H2O) |
| 3.380(26.35) | 100 | 2.793(32.02) | 30 | 3.000(29.76) | 30 | Thadeuite | (Ca,Mn++)(Mg,Fe++,Mn+++)3(PO4)2(OH,F)2 |
| 3.380(26.35) | 100 | 2.548(35.19) | 90 | 10.100(8.75) | 80 | Magnesioastrophyllite | K2Na[Na(Fe++,Fe+++,Mn)Mg2]Ti2Si8O26(OH)4F |
| 3.380(26.35) | 100 | 2.177(41.44) | 90 | 2.073(43.63) | 80 | Xilingolite | Pb3Bi2S6 |
| 3.380(26.35) | 100 | 2.068(43.74) | 55 | 1.764(51.78) | 45 | Metacinnabar | HgS |
| 3.380(26.35) | 100 | 1.512(61.25) | 80 | 2.190(41.19) | 80 | Boromullite | Al4.5SiB0.5O9.5 |
| 3.380(26.35) | 100 | 8.480(10.42) | 80 | 3.150(28.31) | 70 | Sadanagaite | (K,Na)Ca2(Fe++,Mg,Al,Ti)5[(Si,Al)8O22](OH)2 |
| 3.382(26.33) | 100 | 2.681(33.39) | 70 | 1.701(53.85) | 50 | Dukeite | Bi+++24Cr++++++8O57(OH)6(H2O)3 |
| 3.382(26.33) | 100 | 1.701(53.85) | 70 | 7.650(11.56) | 50 | Dukeite | Bi+++24Cr++++++8O57(OH)6(H2O)3 |
| 3.385(26.31) | 100 | 3.315(26.87) | 78 | 2.939(30.39) | 47 | Wilhelmkleinite | ZnFe+++3(AsO4)2(OH)2 |
| 3.386(26.30) | 100 | 2.553(35.12) | 90 | 2.921(30.58) | 80 | Souzalite | (Mg,Fe++)3(Al,Fe+++)4(PO4)4(OH)6•2(H2O) |
| 3.386(26.30) | 100 | 3.376(26.38) | 100 | 8.583(10.30) | 100 | Sekaninaite | (Fe++,Mg)2Al4Si5O18 |
| 3.386(26.30) | 100 | 1.955(46.41) | 34 | 2.623(34.15) | 12 | Helvite | Mn4Be3(SiO4)3S |
| 3.387(26.29) | 100 | 2.166(41.66) | 100 | 1.925(47.17) | 80 | Stenonite | (Sr,Ba,Na)2Al(CO3)F5 |
| 3.390(26.27) | 100 | 3.320(26.83) | 100 | 2.785(32.11) | 70 | Playfairite | Pb16Sb18S43 |
| 3.390(26.27) | 100 | 3.410(26.11) | 85 | 2.310(38.96) | 40 | Ferruccite | NaBF4 |
| 3.390(26.27) | 100 | 3.428(25.97) | 95 | 2.206(40.87) | 60 | Mullite | Al(4+2x)Si(2-2x)O(10-x) where x =0.17 to 0.59 |
| 3.390(26.27) | 100 | 3.540(25.14) | 67 | 5.530(16.01) | 48 | Zincovoltaite | K2Zn5Fe+++3Al(SO4)12•18(H2O) |
| 3.390(26.27) | 100 | 3.920(22.66) | 80 | 4.040(21.98) | 80 | Robinsonite | Pb4Sb6S13 |
| 3.390(26.27) | 100 | 4.320(20.54) | 57 | 3.130(28.49) | 50 | Jarandolite | Ca[B3O4(OH)3] |
| 3.390(26.27) | 100 | 4.040(21.98) | 80 | 3.920(22.66) | 80 | Robinsonite | Pb4Sb6S13 |
| 3.390(26.27) | 50 | 1.380(67.86) | 100 | 1.830(49.79) | 100 | Lutecite | SiO2 |
| 3.390(26.27) | 100 | 3.220(27.68) | 70 | 4.410(20.12) | 70 | Gillespite | BaFe++Si4O10 |
| 3.390(26.27) | 100 | 2.866(31.18) | 80 | 2.652(33.77) | 70 | Francisite | Cu3Bi(SeO3)2O2Cl |
| 3.390(26.27) | 50 | 1.380(67.86) | 100 | 1.370(68.42) | 100 | Lutecite | SiO2 |
| 3.390(26.27) | 50 | 1.370(68.42) | 100 | 1.380(67.86) | 100 | Lutecite | SiO2 |
| 3.390(26.27) | 100 | 2.649(33.81) | 50 | 4.350(20.40) | 35 | Paramontroseite | VO2 |
| 3.390(26.27) | 100 | 4.410(20.12) | 70 | 3.220(27.68) | 70 | Gillespite | BaFe++Si4O10 |
| 3.390(26.27) | 100 | 2.875(31.08) | 100 | 2.131(42.38) | 100 | Crichtonite | (Sr,La,Ce,Y)(Ti,Fe+++,Mn)21O38 |
| 3.392(26.25) | 100 | 3.114(28.64) | 90 | 2.084(43.38) | 33 | Joelbruggerite | Pb3Zn3Sb+++++As2O13(OH) |
| 3.392(26.25) | 100 | 3.210(27.77) | 82 | 2.230(40.41) | 69 | Vistepite | Mn++4Sn++++B2(SiO4)4(OH)2 |
| 3.393(26.24) | 100 | 2.724(32.85) | 70 | 8.137(10.86) | 60 | Humberstonite | K3Na7Mg2(SO4)6(NO3)2•6(H2O) |