X-Ray Diffraction Table

X-Ray Diffraction Table

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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.

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Listing of 278 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.55584 AND d1 < 2.66016)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.556(35.08) 100 2.010(45.07) 60 2.823(31.67) 50 Suanite Mg2B2O5
2.556(35.08) 100 1.544(59.85) 100 2.992(29.84) 60 Glagolevite NaMg6[Si3AlO10](OH,O)8•H2O
2.557(35.06) 100 6.810(12.99) 45 2.267(39.73) 35 Rorisite (Ca,Mg)FCl
2.557(35.06) 100 3.175(28.08) 90 3.414(26.08) 90 Lotharmeyerite CaZnMn+++(AsO3OH)4(OH)3
2.557(35.06) 100 3.414(26.08) 90 3.175(28.08) 90 Lotharmeyerite CaZnMn+++(AsO3OH)4(OH)3
2.557(35.06) 100 1.806(50.49) 100 2.869(31.15) 78 Jerrygibbsite (Mn,Zn)9(SiO4)4(OH)2
2.558(35.05) 100 3.119(28.60) 100 1.560(59.18) 80 Harrisonite Ca(Fe++,Mg)6(PO4)2(SiO4)2
2.559(35.04) 100 1.502(61.71) 80 1.633(56.29) 40 Vuorelainenite (Mn++,Fe++)(V+++,Cr+++)2O4
2.559(35.04) 100 2.521(35.58) 95 2.371(37.92) 65 Pararammelsbergite NiAs2
2.559(35.04) 100 4.050(21.93) 90 12.200(7.24) 80 Philipsburgite (Cu,Zn)6(AsO4,PO4)2(OH)6•(H2O)
2.560(35.02) 100 2.110(42.82) 70 3.210(27.77) 70 Clintonite Ca(Mg,Al)3(Al3Si)O10(OH)2
2.560(35.02) 100 3.610(24.64) 85 2.860(31.25) 85 Tephroite Mn2SiO4
2.560(35.02) 100 7.170(12.33) 90 3.600(24.71) 70 Friedelite Mn8Si6O15(OH,Cl)10
2.560(35.02) 100 7.160(12.35) 70 2.888(30.94) 60 Mcgillite (Mn,Fe++)8Si6O15(OH)8Cl2
2.560(35.02) 100 7.100(12.46) 90 3.548(25.08) 60 Cronstedtite Fe++2Fe+++(SiFe+++)O5(OH)4
2.560(35.02) 100 1.527(60.59) 70 1.662(55.22) 60 Filipstadite (Mn++,Mg)4Sb+++++Fe+++O8
2.560(35.02) 100 1.912(47.51) 80 1.410(66.23) 70 Gudmundite FeSbS
2.560(35.02) 100 2.220(40.60) 90 1.574(58.60) 80 Niobocarbide (Nb,Ta)C
2.560(35.02) 100 2.660(33.67) 100 2.230(40.41) 60 Naumannite Ag2Se
2.560(35.02) 100 2.860(31.25) 85 3.610(24.64) 85 Tephroite Mn2SiO4
2.560(35.02) 100 3.210(27.77) 70 2.110(42.82) 70 Clintonite Ca(Mg,Al)3(Al3Si)O10(OH)2
2.562(34.99) 100 5.520(16.04) 70 4.960(17.87) 70 Shortite Na2Ca2(CO3)3
2.562(34.99) 100 2.489(36.06) 100 4.720(18.78) 100 Cornubite Cu5(AsO4)2(OH)4
2.562(34.99) 100 4.960(17.87) 70 5.520(16.04) 70 Shortite Na2Ca2(CO3)3
2.563(34.98) 100 1.503(61.66) 40 3.005(29.71) 35 Jacobsite (Mn++,Fe++,Mg)(Fe+++,Mn+++)2O4
2.567(34.92) 100 3.969(22.38) 100 4.211(21.08) 90 Magnesiofoitite [ ](Mg2Al)Al6(Si6O18)(BO3)3(OH)4
2.569(34.90) 100 1.540(60.02) 50 2.873(31.10) 40 Almandine Fe++3Al2(SiO4)3
2.570(34.88) 100 3.016(29.59) 40 1.506(61.52) 40 Iwakiite Mn++(Fe+++,Mn+++)2O4
2.570(34.88) 100 4.176(21.26) 38 2.957(30.20) 30 Yuanfuliite (Mg,Fe++)(Fe+++,Al,Mg,Ti,Fe++)(BO3)O
2.570(34.88) 100 5.070(17.48) 80 2.160(41.78) 60 Azoproite (Mg,Fe++)2(Fe+++,Ti,Mg)BO5
2.570(34.88) 100 1.506(61.52) 40 3.016(29.59) 40 Iwakiite Mn++(Fe+++,Mn+++)2O4
2.571(34.87) 100 7.120(12.42) 80 3.559(25.00) 80 Greenalite (Fe++,Fe+++)2-3Si2O5(OH)4
2.571(34.87) 100 2.602(34.44) 95 1.504(61.61) 91 Ganterite [Ba0.5(Na,K)0.5]Al2(Si2.5Al1.5O10)(OH)2
2.571(34.87) 100 3.559(25.00) 80 7.120(12.42) 80 Greenalite (Fe++,Fe+++)2-3Si2O5(OH)4
2.572(34.85) 100 1.503(61.66) 100 2.457(36.54) 70 Preiswerkite NaMg2Al3Si2O10(OH)2
2.573(34.84) 100 3.452(25.79) 91 6.338(13.96) 84 Foitite [ ]Na<0.5(Fe++,Al)3Al6Si6O18(BO3)3(OH)4
2.574(34.83) 100 1.509(61.39) 45 1.643(55.92) 35 Ulvospinel TiFe++2O4
2.574(34.83) 100 2.729(32.79) 90 2.707(33.06) 80 Maricite NaFe++PO4
2.574(34.83) 100 2.911(30.69) 70 4.210(21.08) 60 Ardennite-(As) (Mn++,Ca,Mg)4(Al,Mg,Fe)6(SiO4)2(Si3O10)(AsO4,VO4)(OH)6
2.575(34.81) 100 3.350(26.59) 80 10.100(8.75) 60 Voloshinite Rb(LiAl1.5[ ]0.5)(Al0.5Si3.5)O10F2
2.575(34.81) 100 5.150(17.20) 30 1.536(60.20) 17 Vonsenite Fe++2Fe+++BO5
2.575(34.81) 100 4.550(19.49) 80 3.350(26.59) 60 Voloshinite Rb(LiAl1.5[ ]0.5)(Al0.5Si3.5)O10F2
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 3.990(22.26) 85 2.961(30.16) 85 Schorl NaFe++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 Dravite NaMg3Al6(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
2.578(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 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 1.500(61.80) 50 1.600(57.56) 50 Warwickite Mg(Ti,Fe+++,Al)(BO3)O
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 4.530(19.58) 85 3.640(24.43) 80 Celadonite K(Mg,Fe++)(Fe+++,Al)[Si4O10](OH)2
2.580(34.74) 100 1.683(54.48) 100 2.820(31.70) 90 Yafsoanite Ca3Te2Zn3O12
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 3.990(22.26) 85 2.960(30.17) 85 Buergerite NaFe+++3Al6(BO3)3Si6O21F
2.580(34.74) 100 1.540(60.02) 100 2.880(31.03) 60 Pyrope Mg3Al2(SiO4)3
2.580(34.74) 100 1.540(60.02) 100 2.880(31.03) 60 Majorite Mg3(Fe,Al,Si)2(SiO4)3
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 2.501(35.88) 90 2.927(30.52) 90 Namansilite NaMn+++(Si2O6)
2.584(34.69) 100 2.927(30.52) 90 2.501(35.88) 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 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
2.585(34.67) 100 2.985(29.91) 80 1.828(49.84) 60 Keilite (Fe,Mn,Mg,Ca,Cr)S
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 4.540(19.54) 93 2.409(37.30) 87 Chromceladonite KCrMg(Si4O10)(OH)2
2.588(34.63) 100 2.364(38.03) 80 1.546(59.77) 60 Dzharkenite FeSe2
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 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 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 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 3.920(22.66) 100 3.020(29.55) 70 Fedorovskite Ca2(Mg,Mn)2B4O7(OH)6
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 2.490(36.04) 85 1.890(48.10) 80 Ferroselite FeSe2
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 2.710(33.03) 90 2.140(42.19) 90 Penzhinite (Ag,Cu)4Au(S,Se)4
2.590(34.60) 100 1.680(54.58) 100 2.770(32.29) 80 Cobaltite CoAsS
2.592(34.58) 100 2.193(41.13) 35 1.835(49.64) 35 Skutterudite (Co,Ni)As3-x
2.592(34.58) 100 1.835(49.64) 35 2.193(41.13) 35 Skutterudite (Co,Ni)As3-x
2.593(34.56) 100 2.365(38.02) 80 1.746(52.36) 80 Krutovite NiAs2
2.593(34.56) 100 1.746(52.36) 80 2.365(38.02) 80 Krutovite NiAs2
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 2.891(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)
2.600(34.47) 100 1.560(59.18) 40 1.610(57.17) 30 Spessartine Mn++3Al2(SiO4)3
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

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