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 64 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.12856 AND d1 < 2.21544)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.130(42.40) 100 1.224(78.00) 80 1.059(93.33) 40 Bortnikovite Pd4Cu3Zn
2.130(42.40) 100 1.800(50.67) 100 1.590(57.95) 100 Lindsleyite (Ba,Sr)(Ti,Cr,Fe,Mg)21O38
2.130(42.40) 100 1.220(78.30) 100 1.350(69.58) 60 Osmium (Os,Ir)
2.130(42.40) 100 2.340(38.44) 60 1.410(66.23) 40 Arsenopalladinite Pd8(As,Sb)3
2.130(42.40) 100 7.610(11.62) 100 2.970(30.06) 90 Uralborite CaB2O2(OH)4
2.131(42.38) 100 2.875(31.08) 100 3.390(26.27) 100 Crichtonite (Sr,La,Ce,Y)(Ti,Fe+++,Mn)21O38
2.131(42.38) 100 3.390(26.27) 100 2.875(31.08) 100 Crichtonite (Sr,La,Ce,Y)(Ti,Fe+++,Mn)21O38
2.134(42.32) 100 3.010(29.65) 100 1.510(61.34) 100 Nabiasite BaMn9[(V,As)O4]6(OH)2
2.134(42.32) 100 3.010(29.65) 100 2.332(38.58) 100 Nabiasite BaMn9[(V,As)O4]6(OH)2
2.134(42.32) 100 2.332(38.58) 100 3.010(29.65) 100 Nabiasite BaMn9[(V,As)O4]6(OH)2
2.138(42.23) 100 1.305(72.35) 70 3.657(24.32) 60 Nielsenite PdCu3
2.138(42.23) 100 1.860(48.93) 70 1.305(72.35) 60 Nielsenite PdCu3
2.140(42.19) 100 1.620(56.78) 90 3.240(27.51) 70 Sinhalite MgAlBO4
2.140(42.19) 100 1.440(64.68) 100 2.250(40.04) 90 Mathiasite (K,Ca,Sr)(Ti,Cr,Fe,Mg)21O38
2.140(42.19) 100 1.620(56.78) 100 2.950(30.27) 100 Bismutite Bi2(CO3)O2
2.140(42.19) 100 1.625(56.59) 100 2.102(42.99) 60 Pseudosinhalite Mg2Al3B2O9(OH)
2.140(42.19) 100 2.210(40.80) 90 2.600(34.47) 70 Palladoarsenide Pd2As
2.144(42.11) 100 1.081(90.89) 80 1.529(60.50) 70 Hongquiite TiO
2.146(42.07) 100 1.518(60.99) 80 2.476(36.25) 70 Wustite FeO
2.150(41.99) 100 2.050(44.14) 100 1.486(62.44) 100 Niggliite PtSn
2.150(41.99) 100 2.290(39.31) 55 2.360(38.10) 40 Taimyrite (Pd,Cu,Pt)3Sn
2.151(41.97) 100 2.356(38.17) 100 1.863(48.85) 80 Haxonite (Fe,Ni)23C6
2.156(41.87) 100 3.043(29.33) 80 7.030(12.58) 60 Henryite Cu4Ag3Te4
2.160(41.78) 100 3.930(22.61) 75 2.780(32.17) 63 Antarcticite CaCl2•6(H2O)
2.160(41.78) 100 2.550(35.16) 80 3.030(29.45) 70 Stutzite Ag5-xTe3,(x=0.24-0.36)
2.163(41.72) 100 1.299(72.74) 100 1.529(60.50) 80 Khamrabaevite (Ti,V,Fe)C
2.163(41.72) 100 1.516(61.07) 100 3.190(27.95) 100 Babefphite BaBe(PO4)(F,O)
2.166(41.66) 100 3.387(26.29) 100 1.925(47.17) 80 Stenonite (Sr,Ba,Na)2Al(CO3)F5
2.167(41.64) 100 2.356(38.17) 90 0.860(127.19) 80 Isomertieite Pd11Sb2As2
2.170(41.58) 100 1.955(46.41) 70 1.995(45.42) 70 Nickelphosphide (Ni,Fe)3P
2.170(41.58) 100 1.995(45.42) 70 1.955(46.41) 70 Nickelphosphide (Ni,Fe)3P
2.172(41.54) 100 2.708(33.05) 100 2.648(33.82) 90 Crawfordite Na3Sr(PO4)(CO3)
2.174(41.50) 100 1.918(47.36) 100 3.330(26.75) 100 Genthelvite Zn4Be3(SiO4)3S
2.176(41.46) 100 3.146(28.35) 90 2.544(35.25) 90 Ungarettiite NaNa2(Mn++2Mn+++3)Si8O22O2
2.176(41.46) 100 2.544(35.25) 90 3.146(28.35) 90 Ungarettiite NaNa2(Mn++2Mn+++3)Si8O22O2
2.179(41.40) 100 1.163(82.95) 80 1.094(89.51) 80 Tulameenite Pt2FeCu
2.179(41.40) 100 1.094(89.51) 80 1.163(82.95) 80 Tulameenite Pt2FeCu
2.180(41.38) 100 2.670(33.54) 100 2.230(40.41) 100 Kotoite Mg3B2O6
2.180(41.38) 100 0.779(162.84) 100 0.824(138.39) 90 Sudburyite (Pd,Ni)Sb
2.180(41.38) 100 2.140(42.19) 80 2.720(32.90) 80 Ferriallanite-(Ce) CaCe(Fe+++,Fe++,Al)3[SiO4][Si2O7]O(OH)
2.180(41.38) 100 2.230(40.41) 100 2.670(33.54) 100 Kotoite Mg3B2O6
2.180(41.38) 100 2.720(32.90) 80 2.140(42.19) 80 Ferriallanite-(Ce) CaCe(Fe+++,Fe++,Al)3[SiO4][Si2O7]O(OH)
2.190(41.19) 100 1.560(59.18) 80 1.760(51.91) 50 Cesarolite PbH2Mn++++3O8
2.190(41.19) 100 2.060(43.92) 100 1.260(75.37) 75 Lonsdaleite C
2.190(41.19) 100 2.090(43.25) 80 1.560(59.18) 50 Cesarolite PbH2Mn++++3O8
2.190(41.19) 100 2.100(43.04) 70 1.972(45.98) 70 Schreibersite (Fe,Ni)3P
2.190(41.19) 100 2.934(30.44) 89 3.103(28.75) 78 Zoltaiite BaV++++2V+++12Si2O27
2.190(41.19) 100 1.972(45.98) 70 2.100(43.04) 70 Schreibersite (Fe,Ni)3P
2.190(41.19) 100 2.340(38.44) 100 2.060(43.92) 100 Siderazot Fe5N2
2.191(41.17) 100 1.920(47.30) 70 1.342(70.06) 60 Tetraferroplatinum PtFe
2.191(41.17) 100 1.144(84.65) 85 1.897(47.91) 75 Roaldite (Fe,Ni)4N
2.191(41.17) 100 2.281(39.47) 90 1.230(77.55) 60 Mertieite-II Pd8(Sb,As)3
2.192(41.15) 100 1.935(46.92) 50 1.324(71.15) 40 Ferronickelplatinum Pt2FeNi
2.192(41.15) 100 3.027(29.48) 100 2.088(43.30) 80 Stumpflite Pt(Sb,Bi)
2.193(41.13) 100 1.834(49.67) 100 3.261(27.33) 90 Chukhrovite-(Y) Ca3(Y,Ce)Al2(SO4)F13•10(H2O)
2.194(41.11) 100 2.270(39.67) 100 1.577(58.48) 50 Stibiopalladinite Pd5Sb2
2.196(41.07) 100 1.734(52.75) 90 7.840(11.28) 90 Solongoite Ca2B3O4(OH)4Cl
2.196(41.07) 100 7.840(11.28) 90 1.734(52.75) 90 Solongoite Ca2B3O4(OH)4Cl
2.197(41.05) 100 2.395(37.52) 80 1.271(74.61) 30 Miessiite Pd11Te2Se2
2.200(40.99) 100 2.270(39.67) 100 1.580(58.36) 70 Stannopalladinite (Pd,Cu)3Sn2 (?)
2.200(40.99) 100 3.780(23.52) 70 4.260(20.83) 50 Tsnigriite Ag9SbTe3(S,Se)3
2.209(40.82) 100 2.746(32.58) 100 2.090(43.25) 90 Hsianghualite Ca3Li2Be3(SiO4)3F2
2.210(40.80) 100 2.830(31.59) 92 2.250(40.04) 87 Karlite (Mg,Al)6(BO3)3(OH,Cl)4
2.211(40.78) 100 1.910(47.57) 100 4.520(19.62) 100 Hongshiite PtCu

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