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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 |
| 2.576(34.80) | 100 | 2.961(30.16) | 85 | 3.990(22.26) | 85 | Dravite | NaMg3Al6(BO3)3Si6O18(OH)4 |
| 2.576(34.80) | 100 | 3.990(22.26) | 85 | 2.961(30.16) | 85 | Dravite | NaMg3Al6(BO3)3Si6O18(OH)4 |
| 2.576(34.80) | 100 | 3.990(22.26) | 85 | 2.961(30.16) | 85 | Elbaite | Na(Li,Al)3Al6(BO3)3Si6O18(OH)4 |
| 2.576(34.80) | 100 | 2.961(30.16) | 85 | 3.990(22.26) | 85 | Schorl | NaFe++3Al6(BO3)3Si6O18(OH)4 |
| 2.576(34.80) | 100 | 2.961(30.16) | 85 | 3.990(22.26) | 85 | Elbaite | Na(Li,Al)3Al6(BO3)3Si6O18(OH)4 |
| 2.576(34.80) | 100 | 3.990(22.26) | 85 | 2.961(30.16) | 85 | Schorl | NaFe++3Al6(BO3)3Si6O18(OH)4 |
| 2.578(34.77) | 100 | 2.686(33.33) | 100 | 1.435(64.93) | 90 | Fluorocannilloite | CaCa2(Mg4Al)Si5Al3O22F2 |
| 2.579(34.76) | 100 | 2.557(35.06) | 90 | 4.619(19.20) | 40 | Nullaginite | Ni2(CO3)(OH)2 |
| 2.580(34.74) | 100 | 1.600(57.56) | 50 | 1.500(61.80) | 50 | Warwickite | Mg(Ti,Fe+++,Al)(BO3)O |
| 2.580(34.74) | 100 | 1.540(60.02) | 100 | 2.880(31.03) | 60 | Pyrope | Mg3Al2(SiO4)3 |
| 2.580(34.74) | 100 | 1.683(54.48) | 100 | 2.820(31.70) | 90 | Yafsoanite | Ca3Te2Zn3O12 |
| 2.580(34.74) | 100 | 1.540(60.02) | 100 | 2.880(31.03) | 60 | Majorite | Mg3(Fe,Al,Si)2(SiO4)3 |
| 2.580(34.74) | 100 | 4.530(19.58) | 85 | 3.640(24.43) | 80 | Celadonite | K(Mg,Fe++)(Fe+++,Al)[Si4O10](OH)2 |
| 2.580(34.74) | 100 | 3.650(24.37) | 90 | 3.110(28.68) | 51 | Kenhsuite | Hg3S2Cl2 |
| 2.580(34.74) | 100 | 2.960(30.17) | 85 | 3.990(22.26) | 85 | Buergerite | NaFe+++3Al6(BO3)3Si6O21F |
| 2.580(34.74) | 100 | 2.108(42.87) | 56 | 5.160(17.17) | 22 | Sakhaite | Ca3Mg(BO3)2(CO3)•0.36(H2O) |
| 2.580(34.74) | 100 | 1.500(61.80) | 50 | 1.600(57.56) | 50 | Warwickite | Mg(Ti,Fe+++,Al)(BO3)O |
| 2.580(34.74) | 100 | 3.990(22.26) | 85 | 2.960(30.17) | 85 | Buergerite | NaFe+++3Al6(BO3)3Si6O21F |
| 2.581(34.73) | 100 | 1.820(50.08) | 70 | 3.660(24.30) | 50 | Koashvite | Na6(Ca,Mn)(Ti,Fe)Si6O18•(H2O) |
| 2.582(34.71) | 100 | 4.180(21.24) | 90 | 2.531(35.44) | 70 | Olympite | LiNa5(PO4)2 |
| 2.584(34.69) | 100 | 2.927(30.52) | 90 | 2.501(35.88) | 90 | Namansilite | NaMn+++(Si2O6) |
| 2.584(34.69) | 100 | 2.501(35.88) | 90 | 2.927(30.52) | 90 | Namansilite | NaMn+++(Si2O6) |
| 2.584(34.69) | 100 | 5.558(15.93) | 86 | 3.070(29.06) | 73 | Mozartite | CaMn+++SiO4(OH) |
| 2.585(34.67) | 100 | 2.985(29.91) | 80 | 1.828(49.84) | 60 | Keilite | (Fe,Mn,Mg,Ca,Cr)S |
| 2.585(34.67) | 100 | 4.490(19.76) | 90 | 2.230(40.41) | 90 | Niksergievite | [Ba,Ca)2(Al,Si)7O10(CO3)(OH)6•nH2O |
| 2.585(34.67) | 100 | 2.230(40.41) | 90 | 4.490(19.76) | 90 | Niksergievite | [Ba,Ca)2(Al,Si)7O10(CO3)(OH)6•nH2O |
| 2.586(34.66) | 100 | 2.979(29.97) | 80 | 4.240(20.93) | 60 | Feruvite | (Ca,Na)(Fe,Mg,Ti)3(Al,Mg,Fe)6(BO3)3Si6O18(OH)4 |
| 2.587(34.65) | 100 | 3.680(24.16) | 70 | 2.516(35.66) | 40 | Glaukosphaerite | (Cu,Ni)2(CO3)(OH)2 |
| 2.588(34.63) | 100 | 2.364(38.03) | 80 | 1.546(59.77) | 60 | Dzharkenite | FeSe2 |
| 2.588(34.63) | 100 | 4.540(19.54) | 93 | 2.409(37.30) | 87 | Chromceladonite | KCrMg(Si4O10)(OH)2 |
| 2.589(34.62) | 100 | 3.006(29.70) | 70 | 2.609(34.34) | 70 | Remondite-(Ce) | Na3(Ce,La,Ca,Na,Sr)3(CO3)5 |
| 2.589(34.62) | 100 | 2.609(34.34) | 70 | 3.006(29.70) | 70 | Remondite-(Ce) | Na3(Ce,La,Ca,Na,Sr)3(CO3)5 |
| 2.590(34.60) | 100 | 1.680(54.58) | 100 | 2.770(32.29) | 80 | Cobaltite | CoAsS |
| 2.590(34.60) | 100 | 10.100(8.75) | 100 | 4.530(19.58) | 80 | Glauconite | (K,Na)(Fe+++,Al,Mg)2(Si,Al)4O10(OH)2 |
| 2.590(34.60) | 100 | 2.486(36.10) | 90 | 5.160(17.17) | 80 | Fredrikssonite | Mg2(Mn+++,Fe+++)O2(BO3) |
| 2.590(34.60) | 100 | 2.140(42.19) | 90 | 2.710(33.03) | 90 | Penzhinite | (Ag,Cu)4Au(S,Se)4 |
| 2.590(34.60) | 100 | 2.490(36.04) | 85 | 1.890(48.10) | 80 | Ferroselite | FeSe2 |
| 2.590(34.60) | 100 | 3.290(27.08) | 100 | 3.000(29.76) | 80 | Crookesite | Cu7(Tl,Ag)Se4 |
| 2.590(34.60) | 100 | 3.920(22.66) | 100 | 3.020(29.55) | 70 | Fedorovskite | Ca2(Mg,Mn)2B4O7(OH)6 |
| 2.590(34.60) | 100 | 4.790(18.51) | 100 | 9.540(9.26) | 100 | Chalcophyllite | Cu++18Al2(AsO4)3(SO4)3(OH)27•33(H2O) |
| 2.590(34.60) | 100 | 9.540(9.26) | 100 | 4.790(18.51) | 100 | Chalcophyllite | Cu++18Al2(AsO4)3(SO4)3(OH)27•33(H2O) |
| 2.590(34.60) | 100 | 2.710(33.03) | 90 | 2.140(42.19) | 90 | Penzhinite | (Ag,Cu)4Au(S,Se)4 |
| 2.592(34.58) | 100 | 1.835(49.64) | 35 | 2.193(41.13) | 35 | Skutterudite | (Co,Ni)As3-x |
| 2.592(34.58) | 100 | 2.193(41.13) | 35 | 1.835(49.64) | 35 | Skutterudite | (Co,Ni)As3-x |
| 2.593(34.56) | 100 | 1.746(52.36) | 80 | 2.365(38.02) | 80 | Krutovite | NiAs2 |
| 2.593(34.56) | 100 | 2.365(38.02) | 80 | 1.746(52.36) | 80 | Krutovite | NiAs2 |
| 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) |
| 2.596(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 |
| 2.598(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 | 2.891(30.91) | 70 | 4.337(20.46) | 60 | Frankhawthorneite | Cu2Te++++++O4(OH)2 |
| 2.598(34.49) | 100 | 2.866(31.18) | 90 | 5.360(16.53) | 80 | Nabaphite | NaBaPO4•9(H2O) |
| 2.598(34.49) | 100 | 3.349(26.59) | 70 | 1.453(64.03) | 60 | Chantalite | CaAl2SiO4(OH)4 |
| 2.600(34.47) | 100 | 1.816(50.20) | 80 | 2.520(35.60) | 80 | Kazakovite | Na6Mn++TiSi6O18 |
| 2.600(34.47) | 100 | 2.500(35.89) | 100 | 1.900(47.83) | 100 | Hastite | CoSe2 |
| 2.600(34.47) | 100 | 1.910(47.57) | 80 | 2.070(43.69) | 80 | Caswellsilverite | NaCrS2 |
| 2.600(34.47) | 100 | 1.560(59.18) | 40 | 1.610(57.17) | 30 | Spessartine | Mn++3Al2(SiO4)3 |
| 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 | 2.443(36.76) | 60 | 7.290(12.13) | 50 | Dioptase | CuSiO2(OH)2 |
| 2.600(34.47) | 100 | 3.090(28.87) | 50 | 3.800(23.39) | 30 | Tachyhydrite | CaMg2Cl6•12(H2O) |
| 2.600(34.47) | 100 | 2.520(35.60) | 80 | 1.816(50.20) | 80 | Kazakovite | Na6Mn++TiSi6O18 |
| 2.600(34.47) | 100 | 2.070(43.69) | 80 | 1.910(47.57) | 80 | Caswellsilverite | NaCrS2 |
| 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 |
| 2.601(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 | 2.469(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 |
| 2.602(34.44) | 100 | 2.378(37.80) | 80 | 1.757(52.00) | 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 | 2.070(43.69) | 70 | 3.508(25.37) | 60 | Mckinstryite | (Ag,Cu)2S |
| 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 |
| 2.607(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 | 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 |
| 2.608(34.36) | 100 | 3.052(29.24) | 33 | 1.665(55.11) | 30 | Tegengrenite | (Mg,Mn++)2Sb+++++0.5(Mn+++,Si,Ti)0.5O4 |
| 2.609(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 | 3.780(23.52) | 100 | 2.780(32.17) | 100 | Hanksite | KNa22(SO4)9(CO3)2Cl |
| 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 | 4.080(21.76) | 100 | 3.250(27.42) | 100 | Thorosteenstrupine | (Ca,Th,Mn)3Si4O11F•6(H2O) |
| 2.610(34.33) | 100 | 3.330(26.75) | 80 | 2.070(43.69) | 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) |
| 2.610(34.33) | 100 | 2.070(43.69) | 80 | 3.330(26.75) | 80 | Stromeyerite | AgCuS |
| 2.610(34.33) | 100 | 2.330(38.61) | 90 | 1.638(56.10) | 80 | Lollingite | FeAs2 |
| 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 | 2.880(31.03) | 100 | 4.150(21.39) | 75 | Tangeite | CaCu(VO4)(OH) |
| 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 | 1.587(58.07) | 60 | 3.380(26.35) | 50 | Lavrentievite | Hg3S2(Cl,Br)2 |
| 2.610(34.33) | 100 | 2.110(42.82) | 40 | 3.120(28.59) | 30 | Chlorocalcite | KCaCl3 |
| 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 |
| 2.612(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 |