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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 |
| 2.596(34.52) | 100 | 2.121(42.59) | 90 | 3.040(29.36) | 80 | Buryatite | Ca3(Si,Fe+++,Al)[SO4][B(OH)4](OH,O)6•12(H2O) |
| 2.596(34.52) | 100 | 2.503(35.85) | 90 | 1.908(47.62) | 80 | Costibite | CoSbS |
| 2.596(34.52) | 100 | 2.531(35.44) | 85 | 5.192(17.06) | 65 | Orthopinakiolite | (Mg,Mn++)2Mn+++BO5 |
| 2.596(34.52) | 100 | 3.181(28.03) | 72 | 1.938(46.84) | 64 | Seifertite | SiO2 |
| 2.596(34.52) | 100 | 3.040(29.36) | 90 | 9.700(9.11) | 80 | Buryatite | Ca3(Si,Fe+++,Al)[SO4][B(OH)4](OH,O)6•12(H2O) |
| 2.598(34.49) | 100 | 3.349(26.59) | 70 | 1.453(64.03) | 60 | Chantalite | CaAl2SiO4(OH)4 |
| 2.598(34.49) | 100 | 9.326(9.48) | 85 | 3.418(26.05) | 80 | Gerstmannite | (Mg,Mn)2ZnSiO4(OH)2 |
| 2.598(34.49) | 100 | 4.171(21.28) | 70 | 3.349(26.59) | 60 | Chantalite | CaAl2SiO4(OH)4 |
| 2.598(34.49) | 100 | 2.866(31.18) | 90 | 5.360(16.53) | 80 | Nabaphite | NaBaPO4•9(H2O) |
| 2.598(34.49) | 100 | 2.891(30.91) | 70 | 4.337(20.46) | 60 | Frankhawthorneite | Cu2Te++++++O4(OH)2 |
| 2.600(34.47) | 100 | 2.500(35.89) | 100 | 1.900(47.83) | 100 | Hastite | CoSe2 |
| 2.600(34.47) | 100 | 2.070(43.69) | 80 | 1.910(47.57) | 80 | Caswellsilverite | NaCrS2 |
| 2.600(34.47) | 100 | 2.520(35.60) | 80 | 1.816(50.20) | 80 | Kazakovite | Na6Mn++TiSi6O18 |
| 2.600(34.47) | 100 | 1.519(60.94) | 100 | 4.520(19.62) | 80 | Chromphyllite | (K,Ba)(Cr,Al)2[AlSi3O10](OH,F)2 |
| 2.600(34.47) | 100 | 2.170(41.58) | 90 | 6.100(14.51) | 70 | Pokrovskite | Mg2(CO3)(OH)2•0.5(H2O) |
| 2.600(34.47) | 100 | 3.090(28.87) | 50 | 3.800(23.39) | 30 | Tachyhydrite | CaMg2Cl6•12(H2O) |
| 2.600(34.47) | 100 | 2.443(36.76) | 60 | 7.290(12.13) | 50 | Dioptase | CuSiO2(OH)2 |
| 2.600(34.47) | 100 | 1.910(47.57) | 80 | 2.070(43.69) | 80 | Caswellsilverite | NaCrS2 |
| 2.600(34.47) | 100 | 1.816(50.20) | 80 | 2.520(35.60) | 80 | Kazakovite | Na6Mn++TiSi6O18 |
| 2.600(34.47) | 100 | 1.560(59.18) | 40 | 1.610(57.17) | 30 | Spessartine | Mn++3Al2(SiO4)3 |
| 2.601(34.45) | 100 | 1.839(49.53) | 60 | 1.501(61.75) | 16 | Niningerite | (Mg,Fe++,Mn)S |
| 2.601(34.45) | 100 | 2.130(42.40) | 60 | 3.010(29.65) | 50 | Calcioburbankite | Na3(Ca,REE,Sr)3(CO3)5 |
| 2.602(34.44) | 100 | 2.378(37.80) | 80 | 1.757(52.00) | 80 | Jolliffeite | (Ni,Co)AsSe |
| 2.602(34.44) | 100 | 2.469(36.36) | 25 | 2.731(32.77) | 25 | Eitelite | Na2Mg(CO3)2 |
| 2.602(34.44) | 100 | 2.731(32.77) | 25 | 2.469(36.36) | 25 | Eitelite | Na2Mg(CO3)2 |
| 2.602(34.44) | 100 | 1.757(52.00) | 80 | 2.378(37.80) | 80 | Jolliffeite | (Ni,Co)AsSe |
| 2.603(34.43) | 100 | 4.128(21.51) | 80 | 3.711(23.96) | 65 | Wycheproofite | NaAlZr(PO4)2(OH)2•(H2O) |
| 2.604(34.41) | 100 | 1.988(45.59) | 50 | 2.083(43.41) | 25 | Westerveldite | (Fe,Ni,Co)As |
| 2.605(34.40) | 100 | 5.243(16.90) | 45 | 2.272(39.64) | 40 | Blatterite | (Mn++,Mg)35Sb3(Mn+++,Fe+++)9(BO3)16O32 |
| 2.606(34.38) | 100 | 2.440(36.80) | 80 | 2.383(37.72) | 75 | Acanthite | Ag2S |
| 2.606(34.38) | 100 | 2.956(30.21) | 81 | 2.959(30.18) | 72 | Sibirskite | CaHBO3 |
| 2.606(34.38) | 100 | 2.070(43.69) | 70 | 3.508(25.37) | 60 | Mckinstryite | (Ag,Cu)2S |
| 2.607(34.37) | 100 | 5.220(16.97) | 50 | 3.700(24.03) | 40 | Petersenite-(Ce) | (Na,Ca)4(Ce,La,Nd)2(CO3)5 |
| 2.608(34.36) | 100 | 3.052(29.24) | 33 | 1.665(55.11) | 30 | Tegengrenite | (Mg,Mn++)2Sb+++++0.5(Mn+++,Si,Ti)0.5O4 |
| 2.608(34.36) | 100 | 1.515(61.12) | 80 | 1.311(71.97) | 25 | Lourenswalsite | (K,Ba)2(Ti,Mg,Ca,Fe)4(Si,Al,Fe)6O14(OH)12 |
| 2.609(34.34) | 100 | 2.948(30.29) | 90 | 1.585(58.15) | 75 | Ardennite-(V) | Mn++4[Al4(Mg,Al,Fe+++,Mn+++)2][Si5(V,Si)]O22(OH)6 |
| 2.610(34.33) | 100 | 3.330(26.75) | 80 | 2.070(43.69) | 80 | Stromeyerite | AgCuS |
| 2.610(34.33) | 100 | 3.780(23.52) | 100 | 2.780(32.17) | 100 | Hanksite | KNa22(SO4)9(CO3)2Cl |
| 2.610(34.33) | 100 | 4.080(21.76) | 100 | 3.250(27.42) | 100 | Thorosteenstrupine | (Ca,Th,Mn)3Si4O11F•6(H2O) |
| 2.610(34.33) | 100 | 2.550(35.16) | 100 | 4.520(19.62) | 100 | Beidellite | Na0.5Al2(Si3.5Al0.5)O10(OH)2•n(H2O) |
| 2.610(34.33) | 100 | 2.110(42.82) | 40 | 3.120(28.59) | 30 | Chlorocalcite | KCaCl3 |
| 2.610(34.33) | 100 | 1.587(58.07) | 60 | 3.380(26.35) | 50 | Lavrentievite | Hg3S2(Cl,Br)2 |
| 2.610(34.33) | 100 | 1.841(49.47) | 90 | 1.616(56.93) | 90 | Nickelskutterudite | (Ni,Co)As3-x |
| 2.610(34.33) | 100 | 1.616(56.93) | 90 | 1.841(49.47) | 90 | Nickelskutterudite | (Ni,Co)As3-x |
| 2.610(34.33) | 100 | 2.780(32.17) | 100 | 3.780(23.52) | 100 | Hanksite | KNa22(SO4)9(CO3)2Cl |
| 2.610(34.33) | 100 | 2.330(38.61) | 90 | 1.638(56.10) | 80 | Lollingite | FeAs2 |
| 2.610(34.33) | 100 | 3.010(29.65) | 60 | 1.587(58.07) | 50 | Lavrentievite | Hg3S2(Cl,Br)2 |
| 2.610(34.33) | 100 | 3.140(28.40) | 40 | 2.110(42.82) | 30 | Chlorocalcite | KCaCl3 |
| 2.610(34.33) | 100 | 3.250(27.42) | 100 | 4.080(21.76) | 100 | Thorosteenstrupine | (Ca,Th,Mn)3Si4O11F•6(H2O) |
| 2.610(34.33) | 100 | 2.880(31.03) | 100 | 4.150(21.39) | 75 | Tangeite | CaCu(VO4)(OH) |
| 2.610(34.33) | 100 | 2.070(43.69) | 80 | 3.330(26.75) | 80 | Stromeyerite | AgCuS |
| 2.610(34.33) | 100 | 1.840(49.50) | 90 | 2.130(42.40) | 80 | Harkerite | Ca24Mg8Al2(SiO4)8(BO3)6(CO3)10•2(H2O) |
| 2.612(34.30) | 100 | 1.847(49.30) | 50 | 1.509(61.39) | 20 | Alabandite | MnS |
| 2.613(34.29) | 100 | 5.705(15.52) | 100 | 3.048(29.28) | 90 | Potassiccarpholite | (K,Na,[ ])(Li,Mn++)2Al)4Si4O12(OH)4(F,OH)4 |
| 2.614(34.28) | 100 | 2.840(31.47) | 90 | 4.020(22.09) | 80 | Aminoffite | Ca3Be2Si3O10(OH)2 |
| 2.616(34.25) | 100 | 1.636(56.18) | 65 | 3.509(25.36) | 61 | Akimotoite | (Mg,Fe)SiO3 |
| 2.616(34.25) | 100 | 2.765(32.35) | 85 | 2.414(37.22) | 49 | Hawthorneite | Ba[Ti3Cr4Fe4Mg]O19 |
| 2.619(34.21) | 100 | 4.260(20.83) | 80 | 3.360(26.51) | 70 | Plumbonacrite | Pb10(CO3)6O(OH)6 |
| 2.620(34.20) | 100 | 3.040(29.36) | 90 | 2.070(43.69) | 90 | Vanadiumdravite | NaMg3V6(Si6O18)(BO3)3(OH)4 |
| 2.620(34.20) | 100 | 2.460(36.49) | 100 | 2.950(30.27) | 100 | Gaudefroyite | Ca4Mn+++3-x(BO3)3(CO3)(O,OH)3 |
| 2.620(34.20) | 100 | 2.390(37.60) | 60 | 4.690(18.91) | 40 | Coparsite | Cu4O2[(As,V)O4]Cl |
| 2.620(34.20) | 100 | 3.260(27.33) | 80 | 4.570(19.41) | 40 | Aspidolite | NaMg3AlSi3O10(OH)2 |
| 2.620(34.20) | 100 | 1.574(58.60) | 100 | 2.920(30.59) | 90 | Calderite | (Mn++,Ca)3(Fe+++,Al)2(SiO4)3 |
| 2.620(34.20) | 100 | 3.040(29.36) | 90 | 6.540(13.53) | 90 | Vanadiumdravite | NaMg3V6(Si6O18)(BO3)3(OH)4 |
| 2.620(34.20) | 100 | 3.580(24.85) | 75 | 3.040(29.36) | 75 | Chromdravite | NaMg3(Cr,Fe+++)6(BO3)3Si6O18(OH)4 |
| 2.620(34.20) | 100 | 9.730(9.08) | 80 | 3.260(27.33) | 40 | Aspidolite | NaMg3AlSi3O10(OH)2 |
| 2.620(34.20) | 100 | 3.030(29.45) | 60 | 2.390(37.60) | 40 | Coparsite | Cu4O2[(As,V)O4]Cl |
| 2.620(34.20) | 100 | 2.910(30.70) | 100 | 3.880(22.90) | 60 | Kleinite | Hg2N(Cl,SO4)•n(H2O) |
| 2.620(34.20) | 100 | 3.040(29.36) | 75 | 3.580(24.85) | 75 | Chromdravite | NaMg3(Cr,Fe+++)6(BO3)3Si6O18(OH)4 |
| 2.620(34.20) | 100 | 2.390(37.60) | 100 | 1.765(51.75) | 90 | Trogtalite | CoSe2 |
| 2.620(34.20) | 100 | 2.070(43.69) | 90 | 3.040(29.36) | 90 | Vanadiumdravite | NaMg3V6(Si6O18)(BO3)3(OH)4 |
| 2.621(34.18) | 100 | 2.390(37.60) | 70 | 1.767(51.69) | 60 | Willyamite | (Co,Ni)SbS |
| 2.622(34.17) | 100 | 1.875(48.51) | 60 | 1.959(46.31) | 60 | Danielsite | (Cu,Ag)14HgS8 |
| 2.622(34.17) | 100 | 1.959(46.31) | 60 | 1.875(48.51) | 60 | Danielsite | (Cu,Ag)14HgS8 |
| 2.623(34.15) | 100 | 3.036(29.39) | 90 | 2.143(42.13) | 80 | Remondite-(La) | Na3(La,Ce,Ca)3(CO3)5 |
| 2.623(34.15) | 100 | 3.610(24.64) | 90 | 3.290(27.08) | 90 | Hydrocerussite | Pb3(CO3)2(OH)2 |
| 2.623(34.15) | 100 | 3.290(27.08) | 90 | 3.610(24.64) | 90 | Hydrocerussite | Pb3(CO3)2(OH)2 |
| 2.624(34.14) | 100 | 1.550(59.60) | 80 | 2.726(32.83) | 70 | Lawsonite | CaAl2Si2O7(OH)2•(H2O) |
| 2.624(34.14) | 100 | 2.802(31.91) | 95 | 2.612(34.30) | 90 | Lindqvistite | Pb2(Mn++,Mg)Fe+++16027 |
| 2.625(34.13) | 100 | 3.734(23.81) | 90 | 2.679(33.42) | 90 | Brianite | Na2CaMg(PO4)2 |
| 2.625(34.13) | 100 | 2.679(33.42) | 90 | 3.734(23.81) | 90 | Brianite | Na2CaMg(PO4)2 |
| 2.626(34.11) | 100 | 3.020(29.55) | 86 | 3.200(27.86) | 67 | Panasqueiraite | CaMg(PO4)(OH,F) |
| 2.626(34.11) | 100 | 3.769(23.59) | 90 | 3.151(28.30) | 90 | Nickelaustinite | Ca(Ni,Zn)(AsO4)(OH) |
| 2.626(34.11) | 100 | 2.477(36.24) | 100 | 2.429(36.98) | 80 | Menshikovite | Pd3Ni2As3 |
| 2.626(34.11) | 100 | 3.151(28.30) | 90 | 3.769(23.59) | 90 | Nickelaustinite | Ca(Ni,Zn)(AsO4)(OH) |
| 2.628(34.09) | 100 | 2.891(30.91) | 80 | 1.945(46.66) | 47 | Tuite | Ca3(PO4)2 |
| 2.628(34.09) | 100 | 4.900(18.09) | 74 | 1.927(47.12) | 42 | Portlandite | Ca(OH)2 |
| 2.629(34.07) | 100 | 2.788(32.08) | 90 | 1.721(53.18) | 70 | IMA2009-011 | Ba3Na(Fe++,Mn)8Ti4(Si2O7)4O4(OH,F)7 |
| 2.630(34.06) | 100 | 1.915(47.44) | 100 | 2.670(33.54) | 80 | Omeiite | (Os,Ru)As2 |
| 2.630(34.06) | 100 | 1.942(46.74) | 100 | 2.530(35.45) | 80 | Oenite | CoSbAs |
| 2.630(34.06) | 100 | 2.325(38.70) | 100 | 2.880(31.03) | 100 | Makinenite | NiSe |
| 2.630(34.06) | 100 | 2.770(32.29) | 100 | 1.620(56.78) | 70 | Magnetoplumbite | Pb(Fe+++,Mn+++)12O19 |
| 2.630(34.06) | 100 | 1.890(48.10) | 60 | 2.820(31.70) | 60 | Hellandite-(Y) | (Ca,REE)4(Y,Ce)2(Al,[ ])2[Si4B4O22](OH)2 |
| 2.630(34.06) | 100 | 1.853(49.13) | 70 | 3.330(26.75) | 60 | Imandrite | Na12Ca3Fe+++2Si12O36 |
| 2.630(34.06) | 100 | 1.622(56.71) | 90 | 2.780(32.17) | 90 | Yimengite | K(Cr,Ti,Fe,Mg)12O19 |
| 2.630(34.06) | 100 | 2.780(32.17) | 90 | 1.622(56.71) | 90 | Yimengite | K(Cr,Ti,Fe,Mg)12O19 |
| 2.630(34.06) | 100 | 6.630(13.34) | 90 | 4.050(21.93) | 90 | Povondraite | (Na,K)(Fe+++,Fe++)3(Fe,Mg,Al)6(BO3)3Si6O18(OH)4 |
| 2.630(34.06) | 100 | 3.190(27.95) | 100 | 3.020(29.55) | 100 | Isokite | CaMg(PO4)F |
| 2.630(34.06) | 100 | 3.620(24.57) | 100 | 3.120(28.59) | 100 | Garavellite | FeSbBiS4 |
| 2.630(34.06) | 100 | 2.820(31.70) | 60 | 1.890(48.10) | 60 | Hellandite-(Y) | (Ca,REE)4(Y,Ce)2(Al,[ ])2[Si4B4O22](OH)2 |