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 50 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 1.715 AND d1 < 1.785)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
1.717(53.31) 50 1.633(56.29) 50 1.379(67.92) 50 Oxyvanite V3O5
1.720(53.21) 100 2.090(43.25) 90 2.920(30.59) 50 Gagarinite-(Y) NaCaY(F,Cl)6
1.720(53.21) 100 2.456(36.56) 100 4.230(20.98) 100 Hisingerite Fe+++2Si2O5(OH)4•2(H2O)
1.720(53.21) 100 3.260(27.33) 90 2.550(35.16) 80 Ordonezite ZnSb2O6
1.720(53.21) 100 4.230(20.98) 100 2.456(36.56) 100 Hisingerite Fe+++2Si2O5(OH)4•2(H2O)
1.720(53.21) 100 2.920(30.59) 90 3.000(29.76) 50 Gagarinite-(Y) NaCaY(F,Cl)6
1.740(52.55) 100 3.330(26.75) 80 2.560(35.02) 80 Tapiolite (Fe,Mn)(Ta,Nb)2O6
1.740(52.55) 100 3.330(26.75) 80 2.560(35.02) 80 Tapiolite-(Fe) (Fe++,Mn++)(Ta,Nb)2O6
1.740(52.55) 100 3.320(26.83) 100 2.870(31.14) 100 Irarsite (Ir,Ru,Rh,Pt)AsS
1.740(52.55) 100 5.020(17.65) 70 3.700(24.03) 70 Clinohumite (Mg,Fe++)9(SiO4)4(F,OH)2
1.740(52.55) 100 3.310(26.91) 100 2.870(31.14) 100 Hollingworthite (Rh,Pt,Pd)AsS
1.740(52.55) 100 2.870(31.14) 100 3.310(26.91) 100 Hollingworthite (Rh,Pt,Pd)AsS
1.740(52.55) 100 2.870(31.14) 100 3.320(26.83) 100 Irarsite (Ir,Ru,Rh,Pt)AsS
1.740(52.55) 100 3.700(24.03) 70 5.020(17.65) 70 Clinohumite (Mg,Fe++)9(SiO4)4(F,OH)2
1.740(52.55) 100 2.560(35.02) 80 3.330(26.75) 80 Tapiolite-(Fe) (Fe++,Mn++)(Ta,Nb)2O6
1.740(52.55) 100 2.560(35.02) 80 3.330(26.75) 80 Tapiolite (Fe,Mn)(Ta,Nb)2O6
1.743(52.45) 100 2.869(31.15) 100 2.651(33.78) 70 Sonolite Mn9(SiO4)4(OH,F)2
1.744(52.42) 90 2.610(34.33) 80 3.300(27.00) 70 Bezsmertnovite Au4Cu(Te,Pb)
1.744(52.42) 80 2.320(38.78) 80 1.791(50.95) 80 Felbertalite Cu2Pb6Bi8S19
1.746(52.36) 100 2.896(30.85) 90 3.345(26.63) 80 Platarsite (Pt,Rh,Ru)AsS
1.750(52.23) 100 1.900(47.83) 70 2.980(29.96) 60 Malanite Cu(Pt,Ir)2S4
1.750(52.23) 100 3.330(26.75) 80 2.600(34.47) 80 Varlamoffite (Sn,Fe)(O,OH)2
1.750(52.23) 100 2.850(31.36) 100 2.430(36.96) 70 Gehlenite Ca2Al(AlSi)O7
1.750(52.23) 100 2.600(34.47) 80 3.330(26.75) 80 Varlamoffite (Sn,Fe)(O,OH)2
1.755(52.07) 100 1.852(49.15) 90 1.549(59.64) 80 Polkanovite Rh12As7
1.755(52.07) 100 2.480(36.19) 100 3.000(29.76) 80 Trustedtite Ni3Se4
1.757(52.00) 100 1.019(98.21) 100 1.910(47.57) 80 Kalininite ZnCr2S4
1.758(51.97) 100 3.000(29.76) 100 1.009(99.53) 90 Cuprorhodsite CuRh2S4
1.760(51.91) 100 3.000(29.76) 100 2.489(36.06) 90 Cuproiridsite CuIr2S4
1.763(51.81) 100 2.980(29.96) 100 2.459(36.51) 90 Konderite PbCu3(Rh,Pt,Ir)8S16
1.763(51.81) 100 3.008(29.67) 100 1.918(47.36) 80 Cobaltpentlandite Co9S8
1.765(51.75) 100 5.800(15.26) 80 3.000(29.76) 80 Xingzhongite (Pb,Cu,Fe)(Ir,Pt,Rh)2S4
1.765(51.75) 100 2.850(31.36) 80 3.240(27.51) 60 Roshchinite Ag19Pb10Sb51S96 or Pb(Ag,Cu)2(Sb,As)5S10
1.765(51.75) 100 3.000(29.76) 80 5.800(15.26) 80 Xingzhongite (Pb,Cu,Fe)(Ir,Pt,Rh)2S4
1.766(51.72) 100 2.667(33.57) 100 3.099(28.78) 100 Yftisite-(Y) (Y,Dy,Er)4(Ti,Sn)O(SiO4)2(F,OH)6
1.766(51.72) 100 3.099(28.78) 100 2.667(33.57) 100 Yftisite-(Y) (Y,Dy,Er)4(Ti,Sn)O(SiO4)2(F,OH)6
1.768(51.66) 100 3.010(29.65) 100 2.500(35.89) 80 Florensovite Cu(Cr1.5Sb0.5)S4
1.769(51.63) 100 2.501(35.88) 90 2.886(30.96) 70 Tyrrellite (Cu,Co,Ni)3Se4
1.770(51.59) 100 3.020(29.55) 80 2.510(35.74) 60 Daubreelite Fe++Cr2S4
1.774(51.47) 100 3.020(29.55) 90 2.240(40.23) 90 Miassite Rh17S15
1.774(51.47) 100 2.240(40.23) 90 3.020(29.55) 90 Miassite Rh17S15
1.775(51.44) 100 3.030(29.45) 80 1.931(47.02) 50 Pentlandite (Fe,Ni)9S8
1.776(51.41) 100 8.700(10.16) 100 3.070(29.06) 90 Vozhminite (Ni,Co)4(As,Sb)S2
1.779(51.31) 100 2.950(30.27) 90 2.890(30.92) 90 Weberite Na2MgAlF7
1.779(51.31) 100 2.890(30.92) 90 2.950(30.27) 90 Weberite Na2MgAlF7
1.782(51.22) 100 3.102(28.76) 80 2.332(38.58) 80 Welinite-III Mn++6(W++++++,Mg)2Si2(O,OH)14
1.782(51.22) 100 3.102(28.76) 80 2.332(38.58) 80 Welinite-VIII (Mn++,Mg)3(W++++++,Mn+++)1-x(SiO4)(O,OH)3 (x=1/3)
1.782(51.22) 100 2.332(38.58) 80 3.102(28.76) 80 Welinite-III Mn++6(W++++++,Mg)2Si2(O,OH)14
1.782(51.22) 100 2.332(38.58) 80 3.102(28.76) 80 Welinite-VIII (Mn++,Mg)3(W++++++,Mn+++)1-x(SiO4)(O,OH)3 (x=1/3)
1.782(51.22) 100 3.393(26.24) 89 2.513(35.70) 79 Manganhumite (Mn,Mg)7(SiO4)3(OH)2

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