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 346 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.64796 AND d1 < 2.75604)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
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 2.787(32.09) 100 3.070(29.06) 90 Hatrurite Ca3SiO5
2.649(33.81) 100 3.054(29.22) 45 3.049(29.27) 40 Nacaphite Na(Na,Ca)2(PO4)F
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 3.690(24.10) 90 2.900(30.81) 80 Clerite MnSb2S4
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 7.190(12.30) 50 2.780(32.17) 50 Brownmillerite Ca2(Al,Fe+++)2O5
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 3.060(29.16) 60 Arzakite Hg3S2(Br,Cl)2
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 3.070(29.06) 60 5.100(17.37) 60 Arzakite Hg3S2(Br,Cl)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 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
2.650(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 1.910(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-(Y) Ca4(Y,Ce)2(Ti,Al,Fe+++,[ ])2[Si4B4O22](OH)2
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 1.580(58.36) 90 2.960(30.17) 80 Grossular Ca3Al2(SiO4)3
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 2.500(35.89) 60 Borishanskiite Pd1+x(As,Pb)2, x = 0-0.2
2.650(33.80) 100 2.160(41.78) 90 2.250(40.04) 50 Polarite Pd(Bi,Pb)
2.651(33.78) 100 4.965(17.85) 60 4.380(20.26) 60 Manganostibite (Mn++,Fe++)7(SbO4)(AsO4,SiO4)O4
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 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 4.380(20.26) 60 4.965(17.85) 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 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 5.980(14.80) 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 2.999(29.77) 100 3.303(26.97) 90 Strakhovite NaBa3(Mn++,Mn+++)4Si6O19(OH)3
2.655(33.73) 100 2.862(31.23) 56 3.479(25.58) 40 Okayamalite Ca2B2SiO7
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 2.446(36.71) 80 7.563(11.69) 80 Zinalsite Zn2AlSi2O5(OH)4•2(H2O) (?)
2.657(33.70) 100 2.607(34.37) 80 3.304(26.96) 70 Combeite Na2Ca2Si3O9
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 2.560(35.02) 100 2.230(40.41) 60 Naumannite Ag2Se
2.660(33.67) 100 2.410(37.28) 40 1.780(51.28) 40 Ullmannite NiSbS
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 2.800(31.94) 70 1.940(46.79) 40 Nagelschmidtite Ca7(SiO4)3(PO4)2
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 3.140(28.40) 100 4.120(21.55) 100 Garronite Na2Ca5Al12Si20O64•27(H2O)
2.660(33.67) 100 3.320(26.83) 100 2.570(34.88) 80 Bradleyite Na3Mg(PO4)(CO3)
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 2.290(39.31) 80 2.035(44.48) 80 Fischesserite Ag3AuSe2
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 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 2.035(44.48) 80 2.290(39.31) 80 Fischesserite Ag3AuSe2
2.662(33.64) 100 1.845(49.35) 70 1.652(55.59) 60 Manganarsite Mn++3As+++204(OH)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 2.730(32.78) 100 2.259(39.87) 80 Bredigite Ca7Mg(SiO4)4
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 2.585(34.67) 70 5.350(16.56) 70 Hulsite (Fe++,Mg)2(Fe+++,Sn)O2(BO3)
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
2.665(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 6.320(14.00) 95 3.057(29.19) 95 Oxammite (NH4)2(C2O4)•(H2O)
2.666(33.59) 100 3.637(24.45) 40 2.586(34.66) 40 Monticellite CaMgSiO4
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
2.667(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 2.878(31.05) 80 5.680(15.59) 70 Comancheite Hg13(Cl,Br)8O9
2.669(33.55) 100 3.214(27.73) 53 5.333(16.61) 37 Ellisite Tl3AsS3
2.669(33.55) 100 3.910(22.72) 60 1.788(51.04) 50 Jarosewichite Mn++3Mn+++(AsO4)(OH)6
2.670(33.54) 100 2.230(40.41) 100 2.180(41.38) 100 Kotoite Mg3B2O6
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 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 2.640(33.93) 90 6.710(13.18) 60 Natrofairchildite Na2Ca(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 2.420(37.12) 90 8.180(10.81) 70 Natrophosphate Na7(PO4)2F•19(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 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 1.540(60.02) 100 15.400(5.73) 100 Sauconite Na0,3Zn3(Si,Al)4O10(OH)2•4(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 2.693(33.24) 100 6.150(14.39) 60 Rosemaryite (Na,Ca,Mn++)(Mn++,Fe++)(Fe+++,Fe++,Mg)Al(PO4)3
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 3.773(23.56) 90 8.036(11.00) 85 Abenakiite-(Ce) Na26REE6(SiO3)6(PO4)6(CO3)6(S++++O2)O
2.674(33.48) 100 2.693(33.24) 100 6.150(14.39) 60 Wyllieite (Na,Ca,Mn++)(Mn++,Fe++)(Fe++,Fe+++,Mg)Al(PO4)3
2.674(33.48) 100 2.693(33.24) 100 6.150(14.39) 60 Ferrowyllieite (Na,Ca,Mn)(Fe++,Mn)(Fe++,Fe+++,Mg)Al(PO4)3
2.675(33.47) 100 2.883(30.99) 90 3.960(22.43) 70 Imhofite Tl6CuAs16S40
2.675(33.47) 100 3.002(29.74) 66 8.110(10.90) 56 Fluoro-sodic-pedrizite NaLi2(Mg2Al2Li)S5Si8O22F2
2.675(33.47) 100 7.130(12.40) 80 3.564(24.96) 60 Pyrosmalite-(Fe) (Fe++,Mn)8Si6O15(OH,Cl)10
2.676(33.46) 100 9.800(9.02) 60 3.230(27.59) 60 Johninnesite Na2Mg4Mn++12(AsO4)2(Si12O35)(OH)6
2.676(33.46) 100 3.230(27.59) 60 9.800(9.02) 60 Johninnesite Na2Mg4Mn++12(AsO4)2(Si12O35)(OH)6
2.676(33.46) 100 7.381(11.98) 100 3.690(24.10) 100 Srebrodolskite Ca2Fe+++2O5

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