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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 |
| 2.644(33.88) | 100 | 3.610(24.64) | 90 | 3.760(23.64) | 90 | Tocornalite | (Ag,Hg)I (?) |
| 2.644(33.88) | 100 | 3.760(23.64) | 90 | 3.610(24.64) | 90 | Tocornalite | (Ag,Hg)I (?) |
| 2.644(33.88) | 100 | 1.811(50.34) | 100 | 3.519(25.29) | 100 | Chernovite-(Y) | YAsO4 |
| 2.644(33.88) | 100 | 4.310(20.59) | 100 | 3.380(26.35) | 80 | Montroseite | (V+++,Fe+++,V++++)O(OH) |
| 2.645(33.86) | 100 | 3.730(23.84) | 80 | 5.150(17.20) | 60 | Chukanovite | Fe2(CO3)(OH)2 |
| 2.645(33.86) | 100 | 1.873(48.57) | 100 | 1.618(56.86) | 100 | Zavaritskite | BiOF |
| 2.647(33.84) | 100 | 2.600(34.47) | 80 | 1.847(49.30) | 80 | Oosterboschite | (Pd,Cu)7Se3 |
| 2.647(33.84) | 100 | 1.847(49.30) | 80 | 2.600(34.47) | 80 | Oosterboschite | (Pd,Cu)7Se3 |
| 2.647(33.84) | 100 | 3.071(29.05) | 80 | 4.892(18.12) | 55 | Trona | Na3(CO3)(HCO3)•2(H2O) |
| 2.648(33.82) | 100 | 2.969(30.07) | 70 | 2.419(37.14) | 60 | Peterbaylissite | Hg+3(CO3)(OH)•2(H2O) |
| 2.649(33.81) | 100 | 3.054(29.22) | 45 | 3.049(29.27) | 40 | Nacaphite | Na(Na,Ca)2(PO4)F |
| 2.649(33.81) | 100 | 2.787(32.09) | 100 | 3.070(29.06) | 90 | Hatrurite | Ca3SiO5 |
| 2.650(33.80) | 100 | 7.190(12.30) | 50 | 2.780(32.17) | 50 | Brownmillerite | Ca2(Al,Fe+++)2O5 |
| 2.650(33.80) | 100 | 3.950(22.49) | 60 | 3.020(29.55) | 60 | Grechishchevite | Hg3S2(Br,Cl,I)2 |
| 2.650(33.80) | 100 | 3.070(29.06) | 60 | 3.060(29.16) | 60 | Arzakite | Hg3S2(Br,Cl)2 |
| 2.650(33.80) | 100 | 1.988(45.59) | 100 | 2.190(41.19) | 70 | Majakite | PdNiAs |
| 2.650(33.80) | 100 | 3.070(29.06) | 60 | 5.100(17.37) | 60 | Arzakite | Hg3S2(Br,Cl)2 |
| 2.650(33.80) | 100 | 3.690(24.10) | 90 | 2.900(30.81) | 80 | Clerite | MnSb2S4 |
| 2.650(33.80) | 100 | 2.110(42.82) | 40 | 1.720(53.21) | 40 | Bafertisite | Ba(Fe++,Mn)2TiSi2O7(O,OH)2 |
| 2.650(33.80) | 100 | 3.020(29.55) | 60 | 3.950(22.49) | 60 | Grechishchevite | Hg3S2(Br,Cl,I)2 |
| 2.650(33.80) | 100 | 1.580(58.36) | 90 | 2.960(30.17) | 80 | Grossular | Ca3Al2(SiO4)3 |
| 2.650(33.80) | 100 | 1.720(53.21) | 40 | 2.110(42.82) | 40 | Bafertisite | Ba(Fe++,Mn)2TiSi2O7(O,OH)2 |
| 2.650(33.80) | 100 | 1.910(47.57) | 48 | 2.900(30.81) | 45 | Piergorite-(Ce) | Ca8Ce2(Al0.5 Fe+++0.5)([ ],Li,Be)2Si6B8O36(OH,F)2 |
| 2.650(33.80) | 100 | 1.913(47.49) | 55 | 4.970(17.83) | 30 | Tadzhikite-(Ce) | Ca4(Ce,Y)2(Ti,Al,Fe+++,[ ])2[Si4B4O22](OH)2 |
| 2.650(33.80) | 100 | 1.913(47.49) | 55 | 4.970(17.83) | 30 | Tadzhikite-(Y) | Ca4(Y,Ce)2(Ti,Al,Fe+++,[ ])2[Si4B4O22](OH)2 |
| 2.650(33.80) | 100 | 1.953(46.46) | 90 | 1.566(58.93) | 60 | Xieite | FeCr2O4 |
| 2.650(33.80) | 100 | 2.160(41.78) | 90 | 2.250(40.04) | 50 | Polarite | Pd(Bi,Pb) |
| 2.650(33.80) | 100 | 3.060(29.16) | 60 | 3.070(29.06) | 60 | Arzakite | Hg3S2(Br,Cl)2 |
| 2.650(33.80) | 100 | 2.160(41.78) | 90 | 2.500(35.89) | 60 | Borishanskiite | Pd1+x(As,Pb)2, x = 0-0.2 |
| 2.650(33.80) | 100 | 2.780(32.17) | 50 | 7.190(12.30) | 50 | Brownmillerite | Ca2(Al,Fe+++)2O5 |
| 2.650(33.80) | 50 | 2.740(32.65) | 40 | 4.640(19.11) | 30 | Bayankhanite | Cu6HgS4 |
| 2.651(33.78) | 100 | 2.176(41.46) | 40 | 2.181(41.36) | 40 | Ferrokinoshitalite | (Ba,K)(Fe++,Mg)3(Si2Al2)O10 (OH,F)2 |
| 2.651(33.78) | 100 | 3.270(27.25) | 92 | 2.580(34.74) | 91 | Kapustinite | Na5.5Mn0.25ZrSi6O16(OH)2 |
| 2.651(33.78) | 100 | 4.380(20.26) | 60 | 4.965(17.85) | 60 | Manganostibite | (Mn++,Fe++)7(SbO4)(AsO4,SiO4)O4 |
| 2.651(33.78) | 100 | 2.181(41.36) | 40 | 2.176(41.46) | 40 | Ferrokinoshitalite | (Ba,K)(Fe++,Mg)3(Si2Al2)O10 (OH,F)2 |
| 2.651(33.78) | 100 | 4.965(17.85) | 60 | 4.380(20.26) | 60 | Manganostibite | (Mn++,Fe++)7(SbO4)(AsO4,SiO4)O4 |
| 2.652(33.77) | 100 | 2.635(33.99) | 73 | 2.855(31.30) | 56 | Hellandite-(Ce) | (Ca3REE)4Ce2Al[ ]2[Si4 B4O22](OH)2 |
| 2.654(33.74) | 100 | 3.146(28.35) | 85 | 5.980(14.80) | 85 | IMA2002-034 | CdSO4•4(H2O) |
| 2.654(33.74) | 100 | 2.967(30.09) | 85 | 3.146(28.35) | 85 | IMA2002-034 | CdSO4•4(H2O) |
| 2.654(33.74) | 100 | 3.146(28.35) | 85 | 2.967(30.09) | 85 | IMA2002-034 | CdSO4•4(H2O) |
| 2.655(33.73) | 100 | 8.060(10.97) | 80 | 3.300(27.00) | 60 | Wattersite | Hg+4Hg++Cr++++++O6 |
| 2.655(33.73) | 100 | 2.862(31.23) | 56 | 3.479(25.58) | 40 | Okayamalite | Ca2B2SiO7 |
| 2.655(33.73) | 100 | 2.999(29.77) | 100 | 3.303(26.97) | 90 | Strakhovite | NaBa3(Mn++,Mn+++)4Si6O19(OH)3 |
| 2.656(33.72) | 100 | 5.300(16.71) | 100 | 3.110(28.68) | 100 | Berborite | Be2(BO3)(OH,F)•(H2O) |
| 2.656(33.72) | 100 | 3.110(28.68) | 100 | 5.300(16.71) | 100 | Berborite | Be2(BO3)(OH,F)•(H2O) |
| 2.657(33.70) | 100 | 2.607(34.37) | 80 | 3.304(26.96) | 70 | Combeite | Na2Ca2Si3O9 |
| 2.657(33.70) | 100 | 2.446(36.71) | 80 | 7.563(11.69) | 80 | Zinalsite | Zn2AlSi2O5(OH)4•2(H2O) (?) |
| 2.657(33.70) | 100 | 7.563(11.69) | 80 | 2.446(36.71) | 80 | Zinalsite | Zn2AlSi2O5(OH)4•2(H2O) (?) |
| 2.658(33.69) | 100 | 2.778(32.20) | 100 | 2.887(30.95) | 84 | Barentsite | Na7AlH2(CO3)4F4 |
| 2.659(33.68) | 100 | 1.629(56.44) | 100 | 5.300(16.71) | 100 | Murdochite | PbCu6O8-x(Cl,Br)2x |
| 2.660(33.67) | 100 | 4.120(21.55) | 100 | 3.140(28.40) | 100 | Garronite | Na2Ca5Al12Si20O64•27(H2O) |
| 2.660(33.67) | 100 | 2.410(37.28) | 40 | 1.780(51.28) | 40 | Ullmannite | NiSbS |
| 2.660(33.67) | 100 | 3.080(28.97) | 62 | 2.190(41.19) | 55 | Khanneshite | (NaCa)3(Ba,Sr,Ce,Ca)3(CO3)5 |
| 2.660(33.67) | 100 | 3.320(26.83) | 100 | 2.570(34.88) | 80 | Bradleyite | Na3Mg(PO4)(CO3) |
| 2.660(33.67) | 100 | 1.780(51.28) | 40 | 2.410(37.28) | 40 | Ullmannite | NiSbS |
| 2.660(33.67) | 100 | 1.961(46.26) | 90 | 1.811(50.34) | 80 | Nickeline | NiAs |
| 2.660(33.67) | 100 | 2.610(34.33) | 75 | 3.290(27.08) | 40 | Gregoryite | (Na2,K2,Ca)CO3 |
| 2.660(33.67) | 100 | 2.560(35.02) | 100 | 2.230(40.41) | 60 | Naumannite | Ag2Se |
| 2.660(33.67) | 100 | 2.800(31.94) | 70 | 1.940(46.79) | 40 | Nagelschmidtite | Ca7(SiO4)3(PO4)2 |
| 2.660(33.67) | 100 | 3.140(28.40) | 100 | 4.120(21.55) | 100 | Garronite | Na2Ca5Al12Si20O64•27(H2O) |
| 2.662(33.64) | 100 | 4.733(18.73) | 100 | 4.386(20.23) | 100 | Flinkite | Mn++2Mn+++(AsO4)(OH)4 |
| 2.662(33.64) | 100 | 4.386(20.23) | 100 | 4.733(18.73) | 100 | Flinkite | Mn++2Mn+++(AsO4)(OH)4 |
| 2.662(33.64) | 100 | 1.845(49.35) | 70 | 1.652(55.59) | 60 | Manganarsite | Mn++3As+++204(OH)4 |
| 2.662(33.64) | 100 | 2.035(44.48) | 80 | 2.290(39.31) | 80 | Fischesserite | Ag3AuSe2 |
| 2.662(33.64) | 100 | 2.677(33.45) | 100 | 2.418(37.15) | 95 | Arsenopyrite | FeAsS |
| 2.662(33.64) | 100 | 2.836(31.52) | 90 | 1.572(58.68) | 50 | Tomichite | (V,Fe)4Ti3AsO13(OH) |
| 2.662(33.64) | 100 | 2.290(39.31) | 80 | 2.035(44.48) | 80 | Fischesserite | Ag3AuSe2 |
| 2.663(33.63) | 100 | 2.730(32.78) | 100 | 2.259(39.87) | 80 | Bredigite | Ca7Mg(SiO4)4 |
| 2.663(33.63) | 100 | 1.687(54.34) | 80 | 3.180(28.04) | 80 | Zenzenite | Pb3(Fe+++,Mn+++)4Mn++++3O15 |
| 2.663(33.63) | 100 | 3.180(28.04) | 80 | 1.687(54.34) | 80 | Zenzenite | Pb3(Fe+++,Mn+++)4Mn++++3O15 |
| 2.664(33.61) | 100 | 3.637(24.45) | 60 | 3.762(23.63) | 60 | Capgaronnite | HgAg(Cl,Br,I)S |
| 2.664(33.61) | 100 | 5.350(16.56) | 70 | 2.585(34.67) | 70 | Hulsite | (Fe++,Mg)2(Fe+++,Sn)O2(BO3) |
| 2.664(33.61) | 100 | 3.762(23.63) | 60 | 3.637(24.45) | 60 | Capgaronnite | HgAg(Cl,Br,I)S |
| 2.664(33.61) | 100 | 2.129(42.42) | 85 | 2.122(42.57) | 16 | Nanpingite | Cs(Al,Mg,Fe++,Li)2(Si3Al)O10(OH,F)2 |
| 2.664(33.61) | 100 | 2.585(34.67) | 70 | 5.350(16.56) | 70 | Hulsite | (Fe++,Mg)2(Fe+++,Sn)O2(BO3) |
| 2.665(33.60) | 100 | 2.911(30.69) | 100 | 1.560(59.18) | 73 | IMA2009-010 | [Ba6(PO4)2(CO3)][Fe++7(OH)4Fe+++2O2(SiO3)8] |
| 2.665(33.60) | 100 | 1.560(59.18) | 100 | 3.629(24.51) | 73 | IMA2009-010 | [Ba6(PO4)2(CO3)][Fe++7(OH)4Fe+++2O2(SiO3)8] |
| 2.666(33.59) | 100 | 1.540(60.02) | 50 | 2.901(30.80) | 40 | Rondorfite | Ca8Mg(SiO4)4Cl2 |
| 2.666(33.59) | 100 | 2.586(34.66) | 40 | 3.637(24.45) | 40 | Monticellite | CaMgSiO4 |
| 2.666(33.59) | 100 | 3.057(29.19) | 95 | 6.320(14.00) | 95 | Oxammite | (NH4)2(C2O4)•(H2O) |
| 2.666(33.59) | 100 | 4.258(20.84) | 75 | 5.056(17.53) | 66 | Juangodoyite | Na2Cu(CO3)2 |
| 2.666(33.59) | 100 | 3.637(24.45) | 40 | 2.586(34.66) | 40 | Monticellite | CaMgSiO4 |
| 2.666(33.59) | 100 | 6.320(14.00) | 95 | 3.057(29.19) | 95 | Oxammite | (NH4)2(C2O4)•(H2O) |
| 2.667(33.57) | 100 | 1.766(51.72) | 100 | 3.099(28.78) | 100 | Yftisite-(Y) | (Y,Dy,Er)4(Ti,Sn)O(SiO4)2(F,OH)6 |
| 2.669(33.55) | 100 | 3.910(22.72) | 60 | 1.788(51.04) | 50 | Jarosewichite | Mn++3Mn+++(AsO4)(OH)6 |
| 2.669(33.55) | 100 | 3.214(27.73) | 53 | 5.333(16.61) | 37 | Ellisite | Tl3AsS3 |
| 2.669(33.55) | 100 | 2.878(31.05) | 80 | 5.680(15.59) | 70 | Comancheite | Hg13(Cl,Br)8O9 |
| 2.670(33.54) | 100 | 1.540(60.02) | 100 | 15.400(5.73) | 100 | Sauconite | Na0,3Zn3(Si,Al)4O10(OH)2•4(H2O) |
| 2.670(33.54) | 100 | 1.886(48.21) | 100 | 7.570(11.68) | 100 | Borcarite | Ca4MgB4O6(OH)6(CO3)2 |
| 2.670(33.54) | 100 | 2.520(35.60) | 100 | 2.980(29.96) | 100 | Hydrohalite | NaCl•2(H2O) |
| 2.670(33.54) | 100 | 2.700(33.15) | 100 | 3.120(28.59) | 100 | Harmotome | (Ba,Na,K)1-2(Si,Al)8O16•6(H2O) |
| 2.670(33.54) | 100 | 3.250(27.42) | 60 | 3.120(28.59) | 50 | Ilimaussite-(Ce) | (Ba,Na)10K3Na4.5Ce5(Nb,Ti)6[Si12O36][Si9O18(O,OH)24]O6 |
| 2.670(33.54) | 100 | 3.120(28.59) | 100 | 2.700(33.15) | 100 | Harmotome | (Ba,Na,K)1-2(Si,Al)8O16•6(H2O) |
| 2.670(33.54) | 100 | 2.640(33.93) | 90 | 6.710(13.18) | 60 | Natrofairchildite | Na2Ca(CO3)2 |
| 2.670(33.54) | 100 | 2.230(40.41) | 100 | 2.180(41.38) | 100 | Kotoite | Mg3B2O6 |
| 2.670(33.54) | 100 | 2.420(37.12) | 90 | 8.180(10.81) | 70 | Natrophosphate | Na7(PO4)2F•19(H2O) |
| 2.671(33.52) | 100 | 1.890(48.10) | 63 | 3.087(28.90) | 29 | Carobbiite | KF |
| 2.673(33.50) | 100 | 2.960(30.17) | 100 | 4.810(18.43) | 90 | Clinotyrolite | Ca2Cu9[(As,S)O4]4(OH)10•10(H2O) |
| 2.674(33.48) | 100 | 4.187(21.20) | 76 | 2.459(36.51) | 40 | Tychite | Na6Mg2(CO3)4(SO4) |
| 2.674(33.48) | 100 | 2.693(33.24) | 100 | 6.150(14.39) | 60 | Rosemaryite | (Na,Ca,Mn++)(Mn++,Fe++)(Fe+++,Fe++,Mg)Al(PO4)3 |