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 309 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.59798 AND d1 < 2.70402)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.598(34.49) 100 2.866(31.18) 90 5.360(16.53) 80 Nabaphite NaBaPO4•9(H2O)
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 4.171(21.28) 70 3.349(26.59) 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 3.349(26.59) 70 1.453(64.03) 60 Chantalite CaAl2SiO4(OH)4
2.600(34.47) 100 2.070(43.69) 80 1.910(47.57) 80 Caswellsilverite NaCrS2
2.600(34.47) 100 2.520(35.60) 80 1.816(50.20) 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 1.519(60.94) 100 4.520(19.62) 80 Chromphyllite (K,Ba)(Cr,Al)2[AlSi3O10](OH,F)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 2.170(41.58) 90 6.100(14.51) 70 Pokrovskite Mg2(CO3)(OH)2•0.5(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 2.443(36.76) 60 7.290(12.13) 50 Dioptase CuSiO2(OH)2
2.600(34.47) 100 1.816(50.20) 80 2.520(35.60) 80 Kazakovite Na6Mn++TiSi6O18
2.600(34.47) 100 1.910(47.57) 80 2.070(43.69) 80 Caswellsilverite NaCrS2
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 2.378(37.80) 80 1.757(52.00) 80 Jolliffeite (Ni,Co)AsSe
2.602(34.44) 100 1.757(52.00) 80 2.378(37.80) 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 3.052(29.24) 33 1.665(55.11) 30 Tegengrenite (Mg,Mn++)2Sb+++++0.5(Mn+++,Si,Ti)0.5O4
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
2.609(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 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 3.780(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 3.330(26.75) 80 2.070(43.69) 80 Stromeyerite AgCuS
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 2.550(35.16) 100 4.520(19.62) 100 Beidellite Na0.5Al2(Si3.5Al0.5)O10(OH)2•n(H2O)
2.610(34.33) 100 2.070(43.69) 80 3.330(26.75) 80 Stromeyerite AgCuS
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 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 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 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)
2.612(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 1.574(58.60) 100 2.920(30.59) 90 Calderite (Mn++,Ca)3(Fe+++,Al)2(SiO4)3
2.620(34.20) 100 3.260(27.33) 80 4.570(19.41) 40 Aspidolite NaMg3AlSi3O10(OH)2
2.620(34.20) 100 2.390(37.60) 60 4.690(18.91) 40 Coparsite Cu4O2[(As,V)O4]Cl
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 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 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 3.040(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
2.621(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 3.036(29.39) 90 2.143(42.13) 80 Remondite-(La) Na3(La,Ce,Ca)3(CO3)5
2.623(34.15) 100 3.290(27.08) 90 3.610(24.64) 90 Hydrocerussite Pb3(CO3)2(OH)2
2.624(34.14) 100 1.550(59.60) 80 2.726(32.83) 70 Lawsonite CaAl2Si2O7(OH)2•(H2O)
2.624(34.14) 100 2.802(31.91) 95 2.612(34.30) 90 Lindqvistite Pb2(Mn++,Mg)Fe+++16027
2.625(34.13) 100 2.679(33.42) 90 3.734(23.81) 90 Brianite Na2CaMg(PO4)2
2.625(34.13) 100 3.734(23.81) 90 2.679(33.42) 90 Brianite Na2CaMg(PO4)2
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)
2.626(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)
2.628(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 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
2.630(34.06) 100 2.325(38.70) 100 2.880(31.03) 100 Makinenite NiSe
2.630(34.06) 100 3.190(27.95) 100 3.020(29.55) 100 Isokite CaMg(PO4)F
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 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 3.730(23.84) 90 5.290(16.75) 80 Spertiniite Cu(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 3.120(28.59) 100 3.620(24.57) 100 Garavellite FeSbBiS4
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 3.680(24.16) 100 3.800(23.39) 90 Loseyite (Mn,Zn)7(CO3)2(OH)10
2.630(34.06) 100 3.020(29.55) 100 3.190(27.95) 100 Isokite CaMg(PO4)F
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 1.853(49.13) 70 3.330(26.75) 60 Imandrite Na12Ca3Fe+++2Si12O36
2.630(34.06) 100 1.622(56.71) 90 2.780(32.17) 90 Yimengite K(Cr,Ti,Fe,Mg)12O19

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