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 320 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.60876 AND d1 < 2.71524)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
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 1.841(49.47) 90 1.616(56.93) 90 Nickelskutterudite (Ni,Co)As3-x
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 3.250(27.42) 100 4.080(21.76) 100 Thorosteenstrupine (Ca,Th,Mn)3Si4O11F•6(H2O)
2.610(34.33) 100 3.140(28.40) 40 2.110(42.82) 30 Chlorocalcite KCaCl3
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 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
2.612(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 2.765(32.35) 85 2.414(37.22) 49 Hawthorneite Ba[Ti3Cr4Fe4Mg]O19
2.616(34.25) 100 1.636(56.18) 65 3.509(25.36) 61 Akimotoite (Mg,Fe)SiO3
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 2.390(37.60) 60 4.690(18.91) 40 Coparsite Cu4O2[(As,V)O4]Cl
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 3.040(29.36) 90 2.070(43.69) 90 Vanadiumdravite NaMg3V6(Si6O18)(BO3)3(OH)4
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 3.260(27.33) 80 4.570(19.41) 40 Aspidolite NaMg3AlSi3O10(OH)2
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 1.574(58.60) 100 2.920(30.59) 90 Calderite (Mn++,Ca)3(Fe+++,Al)2(SiO4)3
2.620(34.20) 100 2.070(43.69) 90 3.040(29.36) 90 Vanadiumdravite NaMg3V6(Si6O18)(BO3)3(OH)4
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 3.030(29.45) 60 2.390(37.60) 40 Coparsite Cu4O2[(As,V)O4]Cl
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 9.730(9.08) 80 3.260(27.33) 40 Aspidolite NaMg3AlSi3O10(OH)2
2.621(34.18) 100 2.390(37.60) 70 1.767(51.69) 60 Willyamite (Co,Ni)SbS
2.622(34.17) 100 1.959(46.31) 60 1.875(48.51) 60 Danielsite (Cu,Ag)14HgS8
2.622(34.17) 100 1.875(48.51) 60 1.959(46.31) 60 Danielsite (Cu,Ag)14HgS8
2.623(34.15) 100 3.290(27.08) 90 3.610(24.64) 90 Hydrocerussite Pb3(CO3)2(OH)2
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 3.036(29.39) 90 2.143(42.13) 80 Remondite-(La) Na3(La,Ce,Ca)3(CO3)5
2.624(34.14) 100 2.802(31.91) 95 2.612(34.30) 90 Lindqvistite Pb2(Mn++,Mg)Fe+++16027
2.624(34.14) 100 1.550(59.60) 80 2.726(32.83) 70 Lawsonite CaAl2Si2O7(OH)2•(H2O)
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 3.769(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 3.020(29.55) 86 3.200(27.86) 67 Panasqueiraite CaMg(PO4)(OH,F)
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 4.900(18.09) 74 1.927(47.12) 42 Portlandite Ca(OH)2
2.628(34.09) 100 2.891(30.91) 80 1.945(46.66) 47 Tuite Ca3(PO4)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 3.120(28.59) 100 3.620(24.57) 100 Garavellite FeSbBiS4
2.630(34.06) 100 4.050(21.93) 90 6.630(13.34) 90 Povondraite (Na,K)(Fe+++,Fe++)3(Fe,Mg,Al)6(BO3)3Si6O18(OH)4
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 2.820(31.70) 60 1.890(48.10) 60 Hellandite-(Y) (Ca,REE)4(Y,Ce)2(Al,[ ])2[Si4B4O22](OH)2
2.630(34.06) 100 3.730(23.84) 90 5.290(16.75) 80 Spertiniite Cu(OH)2
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 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 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 3.680(24.16) 100 3.800(23.39) 90 Loseyite (Mn,Zn)7(CO3)2(OH)10
2.630(34.06) 100 2.325(38.70) 100 2.880(31.03) 100 Makinenite NiSe
2.630(34.06) 100 4.810(18.43) 100 5.850(15.13) 90 Libethenite Cu2(PO4)(OH)
2.630(34.06) 100 1.942(46.74) 100 2.530(35.45) 80 Oenite CoSbAs
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 1.915(47.44) 100 2.670(33.54) 80 Omeiite (Os,Ru)As2
2.630(34.06) 100 1.853(49.13) 70 3.330(26.75) 60 Imandrite Na12Ca3Fe+++2Si12O36
2.630(34.06) 100 3.020(29.55) 100 3.190(27.95) 100 Isokite CaMg(PO4)F
2.631(34.05) 100 1.966(46.13) 90 1.770(51.59) 80 Langisite (Co,Ni)As
2.631(34.05) 100 2.799(31.95) 80 1.478(62.82) 70 Batiferrite Ba(Ti2Fe+++8Fe++2)O19
2.634(34.01) 100 2.834(31.54) 95 3.486(25.53) 80 Willemite Zn2SiO4
2.635(33.99) 100 3.965(22.40) 100 3.794(23.43) 90 Lithiophosphate Li3PO4
2.637(33.97) 100 3.130(28.49) 90 3.646(24.39) 70 Oxykinoshitalite (Ba,K)(Mg,Fe++,Ti)3(Si,Al)4O10O2
2.637(33.97) 100 3.171(28.12) 100 2.801(31.92) 100 Austinite CaZn(AsO4)(OH)
2.637(33.97) 100 2.172(41.54) 90 3.130(28.49) 70 Oxykinoshitalite (Ba,K)(Mg,Fe++,Ti)3(Si,Al)4O10O2
2.637(33.97) 100 2.801(31.92) 100 3.171(28.12) 100 Austinite CaZn(AsO4)(OH)
2.639(33.94) 100 2.118(42.65) 80 3.370(26.43) 60 Kornerupine (Mg,Fe++)4Al6(SiO4,BO4)5(O,OH)2
2.639(33.94) 100 1.628(56.48) 70 2.791(32.04) 70 Parsettensite (K,Na,Ca)(Mn,Al)7Si8O20(OH)8•2(H2O) (?)
2.639(33.94) 100 3.041(29.35) 80 5.280(16.78) 70 Burbankite (Na,Ca)3(Sr,Ba,Ce)3(CO3)5
2.639(33.94) 100 2.791(32.04) 70 1.628(56.48) 70 Parsettensite (K,Na,Ca)(Mn,Al)7Si8O20(OH)8•2(H2O) (?)
2.639(33.94) 100 3.030(29.45) 80 2.118(42.65) 60 Kornerupine (Mg,Fe++)4Al6(SiO4,BO4)5(O,OH)2
2.640(33.93) 100 3.310(26.91) 100 5.280(16.78) 100 Iraqite-(La) K(La,Ce,Th)2(Ca,Na)4(Si,Al)16O40
2.640(33.93) 100 3.510(25.35) 100 2.570(34.88) 50 Kupletskite K2Na(Mn,Fe++)7(Ti,Nb)2Si8O26(OH)4F
2.640(33.93) 100 2.939(30.39) 100 11.400(7.75) 100 Raite Na4Mn++4Si8(O,OH)24•9(H2O)
2.640(33.93) 100 2.710(33.03) 95 5.420(16.34) 70 Mitscherlichite K2CuCl4•2(H2O)
2.640(33.93) 100 11.400(7.75) 100 2.939(30.39) 100 Raite Na4Mn++4Si8(O,OH)24•9(H2O)
2.640(33.93) 100 5.280(16.78) 100 3.310(26.91) 100 Iraqite-(La) K(La,Ce,Th)2(Ca,Na)4(Si,Al)16O40
2.640(33.93) 100 2.545(35.24) 100 2.935(30.43) 80 Kullerudite NiSe2
2.641(33.91) 100 2.795(31.99) 90 1.634(56.25) 47 Haggertyite Ba[Fe++6Ti5Mg]O19
2.642(33.90) 100 3.710(23.97) 70 3.110(28.68) 50 Chlorophoenicite (Mn,Mg)3Zn2(AsO4)(OH,O)6
2.642(33.90) 100 3.110(28.68) 70 6.870(12.88) 50 Chlorophoenicite (Mn,Mg)3Zn2(AsO4)(OH,O)6
2.643(33.89) 100 2.372(37.90) 80 1.420(65.70) 70 Urvantsevite Pd(Bi,Pb)2
2.644(33.88) 100 1.811(50.34) 100 3.519(25.29) 100 Chernovite-(Y) YAsO4
2.644(33.88) 100 3.610(24.64) 90 3.760(23.64) 90 Tocornalite (Ag,Hg)I (?)
2.644(33.88) 100 4.310(20.59) 100 3.380(26.35) 80 Montroseite (V+++,Fe+++,V++++)O(OH)
2.644(33.88) 100 3.760(23.64) 90 3.610(24.64) 90 Tocornalite (Ag,Hg)I (?)
2.645(33.86) 100 3.730(23.84) 80 5.150(17.20) 60 Chukanovite Fe2(CO3)(OH)2

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