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 57 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 1.76988 AND d1 < 1.84212)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
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 2.890(30.92) 90 2.950(30.27) 90 Weberite Na2MgAlF7
1.779(51.31) 100 2.950(30.27) 90 2.890(30.92) 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-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 3.393(26.24) 89 2.513(35.70) 79 Manganhumite (Mn,Mg)7(SiO4)3(OH)2
1.791(50.95) 80 2.320(38.78) 80 1.744(52.42) 80 Felbertalite Cu2Pb6Bi8S19
1.791(50.95) 80 1.744(52.42) 80 2.031(44.58) 80 Felbertalite Cu2Pb6Bi8S19
1.791(50.95) 80 1.744(52.42) 80 2.320(38.78) 80 Felbertalite Cu2Pb6Bi8S19
1.796(50.79) 100 2.873(31.10) 80 2.552(35.14) 80 Ribbeite (Mn++,Mg)5(SiO4)2(OH)2
1.796(50.79) 100 2.552(35.14) 80 2.873(31.10) 80 Ribbeite (Mn++,Mg)5(SiO4)2(OH)2
1.797(50.76) 100 2.222(40.57) 80 1.325(71.09) 80 Zoubekite AgPb4Sb4S10
1.797(50.76) 100 1.325(71.09) 80 2.222(40.57) 80 Zoubekite AgPb4Sb4S10
1.798(50.73) 100 1.996(45.40) 80 3.443(25.86) 20 Ertixiite Na2Si4O9
1.799(50.70) 100 2.860(31.25) 80 2.598(34.49) 60 Alleghanyite Mn5(SiO4)2(OH)2
1.800(50.67) 100 2.700(33.15) 100 2.020(44.83) 100 Wilkmanite Ni3Se4
1.800(50.67) 100 1.590(57.95) 100 2.130(42.40) 100 Lindsleyite (Ba,Sr)(Ti,Cr,Fe,Mg)21O38
1.800(50.67) 100 1.745(52.39) 90 1.758(51.97) 80 Vincentite (Pd,Pt)3(As,Sb,Te)
1.800(50.67) 100 1.775(51.44) 90 1.745(52.39) 80 Vincentite (Pd,Pt)3(As,Sb,Te)
1.800(50.67) 100 2.020(44.83) 100 2.700(33.15) 100 Wilkmanite Ni3Se4
1.801(50.64) 100 2.945(30.32) 100 1.537(60.15) 90 Calzirtite CaZr3TiO9
1.801(50.64) 100 1.148(84.28) 70 2.980(29.96) 60 Sperrylite PtAs2
1.804(50.55) 100 2.892(30.89) 100 3.707(23.99) 60 Nordenskioldine CaSnB2O6
1.804(50.55) 100 1.539(60.07) 100 2.940(30.38) 100 Tazheranite CaTiZr2O8
1.806(50.49) 100 2.877(31.06) 90 2.684(33.36) 80 Leucophoenicite Mn7(SiO4)3(OH)2
1.806(50.49) 100 2.557(35.06) 100 2.869(31.15) 78 Jerrygibbsite (Mn,Zn)9(SiO4)4(OH)2
1.810(50.37) 100 3.270(27.25) 100 3.160(28.22) 90 Nasonite Pb6Ca4Si6O21Cl2
1.811(50.34) 100 2.644(33.88) 100 3.519(25.29) 100 Chernovite-(Y) YAsO4
1.811(50.34) 100 3.519(25.29) 100 2.644(33.88) 100 Chernovite-(Y) YAsO4
1.813(50.28) 100 1.146(84.47) 90 2.990(29.86) 90 Tolovkite IrSbS
1.813(50.28) 100 2.990(29.86) 90 1.146(84.47) 90 Tolovkite IrSbS
1.813(50.28) 100 1.548(59.68) 100 2.940(30.38) 100 Lewisite (Ca,Fe++,Na)2(Sb,Ti)2O7
1.818(50.14) 100 4.170(21.29) 80 3.120(28.59) 80 Tungusite [Ca14(OH)8](Si8020)(Si8020)2[Fe++9(OH)14]
1.818(50.14) 100 1.552(59.51) 100 2.950(30.27) 100 Uranmicrolite (U,Ca)2(Ta,Nb)2O6(OH)
1.818(50.14) 100 3.120(28.59) 80 4.170(21.29) 80 Tungusite [Ca14(OH)8](Si8020)(Si8020)2[Fe++9(OH)14]
1.819(50.11) 100 3.170(28.13) 100 2.240(40.23) 100 Argentite Ag2S
1.819(50.11) 70 4.740(18.70) 70 2.250(40.04) 70 Fullerite C60
1.819(50.11) 100 2.240(40.23) 100 3.170(28.13) 100 Argentite Ag2S
1.820(50.08) 100 3.445(25.84) 89 1.988(45.59) 82 Rambergite MnS
1.828(49.84) 100 2.985(29.91) 70 2.372(37.90) 60 Djerfisherite K6Na(Fe,Cu,Ni)25S26Cl
1.830(49.79) 100 2.890(30.92) 90 1.660(55.29) 80 Heazlewoodite Ni3S2
1.830(49.79) 100 3.090(28.87) 100 2.810(31.82) 100 Plombierite Ca5H2Si6O18•6H2O
1.830(49.79) 100 2.810(31.82) 100 3.090(28.87) 100 Plombierite Ca5H2Si6O18•6H2O
1.832(49.73) 100 2.930(30.48) 90 3.080(28.97) 80 Betekhtinite Cu10(Fe,Pb)S6
1.834(49.67) 100 2.193(41.13) 100 3.261(27.33) 90 Chukhrovite-(Y) Ca3(Y,Ce)Al2(SO4)F13•10(H2O)
1.835(49.64) 100 2.378(37.80) 90 2.996(29.80) 90 Owensite (Ba,Pb)6(Cu,Fe,Ni)25S27
1.835(49.64) 100 2.996(29.80) 90 2.378(37.80) 90 Owensite (Ba,Pb)6(Cu,Fe,Ni)25S27
1.838(49.55) 100 1.172(82.18) 95 0.929(112.02) 90 Kalungaite PdAsSe
1.839(49.53) 100 7.670(11.53) 100 2.340(38.44) 90 Chlormagaluminite (Mg,Fe++)4Al2(OH)12(Cl2,CO3)•2(H2O)
1.840(49.50) 100 1.587(58.07) 100 3.040(29.36) 100 Cesstibtantite (Cs,Na)SbTa4O12
1.842(49.44) 100 2.637(33.97) 90 2.569(34.90) 80 Zirsinalite Na6(Ca,Mn,Fe++)Zr[Si6O18]

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