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 306 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.61072 AND d1 < 2.71728)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
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 6.540(13.53) 90 Vanadiumdravite NaMg3V6(Si6O18)(BO3)3(OH)4
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 3.040(29.36) 90 2.070(43.69) 90 Vanadiumdravite NaMg3V6(Si6O18)(BO3)3(OH)4
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 2.460(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) 100 1.765(51.75) 90 Trogtalite CoSe2
2.620(34.20) 100 3.260(27.33) 80 4.570(19.41) 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 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 3.040(29.36) 75 3.580(24.85) 75 Chromdravite NaMg3(Cr,Fe+++)6(BO3)3Si6O18(OH)4
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)
2.621(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 3.610(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
2.623(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 2.477(36.24) 100 2.429(36.98) 80 Menshikovite Pd3Ni2As3
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 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 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 3.730(23.84) 90 5.290(16.75) 80 Spertiniite Cu(OH)2
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 1.853(49.13) 70 3.330(26.75) 60 Imandrite Na12Ca3Fe+++2Si12O36
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 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 3.620(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 3.680(24.16) 100 3.800(23.39) 90 Loseyite (Mn,Zn)7(CO3)2(OH)10
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 3.020(29.55) 100 3.190(27.95) 100 Isokite CaMg(PO4)F
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 2.325(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 3.120(28.59) 100 3.620(24.57) 100 Garavellite FeSbBiS4
2.630(34.06) 100 3.190(27.95) 100 3.020(29.55) 100 Isokite CaMg(PO4)F
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
2.631(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 3.171(28.12) 100 2.801(31.92) 100 Austinite CaZn(AsO4)(OH)
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 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 2.791(32.04) 70 1.628(56.48) 70 Parsettensite (K,Na,Ca)(Mn,Al)7Si8O20(OH)8•2(H2O) (?)
2.639(33.94) 100 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 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 3.030(29.45) 80 2.118(42.65) 60 Kornerupine (Mg,Fe++)4Al6(SiO4,BO4)5(O,OH)2
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
2.640(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 11.400(7.75) 100 2.939(30.39) 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 2.545(35.24) 100 2.935(30.43) 80 Kullerudite NiSe2
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 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
2.641(33.91) 100 2.795(31.99) 90 1.634(56.25) 47 Haggertyite Ba[Fe++6Ti5Mg]O19
2.642(33.90) 100 3.110(28.68) 70 6.870(12.88) 50 Chlorophoenicite (Mn,Mg)3Zn2(AsO4)(OH,O)6
2.642(33.90) 100 3.710(23.97) 70 3.110(28.68) 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 4.310(20.59) 100 3.380(26.35) 80 Montroseite (V+++,Fe+++,V++++)O(OH)
2.644(33.88) 100 3.610(24.64) 90 3.760(23.64) 90 Tocornalite (Ag,Hg)I (?)
2.644(33.88) 100 3.760(23.64) 90 3.610(24.64) 90 Tocornalite (Ag,Hg)I (?)
2.644(33.88) 100 1.811(50.34) 100 3.519(25.29) 100 Chernovite-(Y) YAsO4
2.645(33.86) 100 1.873(48.57) 100 1.618(56.86) 100 Zavaritskite BiOF
2.645(33.86) 100 3.730(23.84) 80 5.150(17.20) 60 Chukanovite Fe2(CO3)(OH)2
2.647(33.84) 100 2.600(34.47) 80 1.847(49.30) 80 Oosterboschite (Pd,Cu)7Se3
2.647(33.84) 100 1.847(49.30) 80 2.600(34.47) 80 Oosterboschite (Pd,Cu)7Se3
2.647(33.84) 100 3.071(29.05) 80 4.892(18.12) 55 Trona Na3(CO3)(HCO3)•2(H2O)
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 2.110(42.82) 40 1.720(53.21) 40 Bafertisite Ba(Fe++,Mn)2TiSi2O7(O,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 2.160(41.78) 90 2.250(40.04) 50 Polarite Pd(Bi,Pb)
2.650(33.80) 100 1.988(45.59) 100 2.190(41.19) 70 Majakite PdNiAs
2.650(33.80) 100 1.953(46.46) 90 1.566(58.93) 60 Xieite FeCr2O4
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 1.913(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 1.580(58.36) 90 2.960(30.17) 80 Grossular Ca3Al2(SiO4)3
2.650(33.80) 100 3.690(24.10) 90 2.900(30.81) 80 Clerite MnSb2S4

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