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 > 2.08838 AND d1 < 2.17362)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.089(43.27) 100 1.201(79.79) 80 1.044(95.09) 60 Zhanghengite (Cu,Zn,Fe,Al,Cr)
2.090(43.25) 100 2.010(45.07) 70 3.610(24.64) 70 Weissite Cu1.9Te
2.090(43.25) 100 2.660(33.67) 60 1.720(53.21) 50 Troilite FeS
2.090(43.25) 100 2.930(30.48) 80 2.980(29.96) 80 Montbrayite (Au,Sb)2Te3
2.090(43.25) 100 2.020(44.83) 100 2.350(38.27) 100 Calcioancylite-(Ce) CaCe(CO3)2(OH)•(H2O)
2.090(43.25) 100 2.980(29.96) 80 2.930(30.48) 80 Montbrayite (Au,Sb)2Te3
2.090(43.25) 100 3.610(24.64) 70 2.010(45.07) 70 Weissite Cu1.9Te
2.091(43.23) 100 2.473(36.30) 53 2.308(38.99) 40 Zinc Zn
2.096(43.12) 100 6.110(14.48) 80 1.665(55.11) 80 Edgarite FeNb2S6
2.096(43.12) 100 6.110(14.48) 80 2.606(34.38) 80 Edgarite FeNb2S6
2.096(43.12) 100 1.665(55.11) 80 6.110(14.48) 80 Edgarite FeNb2S6
2.098(43.08) 100 2.216(40.68) 26 2.382(37.73) 24 Hexamolybdenum (Mo,Ru,Fe,Ir,Os)
2.100(43.04) 100 1.815(50.22) 80 1.849(49.24) 70 Tongxinite Cu2Zn
2.100(43.04) 100 2.153(41.93) 80 1.815(50.22) 70 Tongxinite Cu2Zn
2.105(42.93) 100 2.226(40.49) 34 2.388(37.64) 32 Rhenium Re
2.106(42.91) 100 1.489(62.30) 52 1.216(78.61) 12 Periclase MgO
2.115(42.72) 100 2.355(38.18) 80 1.351(69.52) 50 Stillwaterite Pd8As3
2.116(42.70) 40 4.373(20.29) 40 2.325(38.70) 40 Tischendorfite Pd8Hg3Se9
2.116(42.70) 40 4.373(20.29) 40 4.819(18.40) 40 Tischendorfite Pd8Hg3Se9
2.116(42.70) 40 2.325(38.70) 40 4.373(20.29) 40 Tischendorfite Pd8Hg3Se9
2.118(42.65) 100 3.456(25.76) 100 1.804(50.55) 60 Cameronite AgCu7Te10
2.119(42.63) 100 2.314(38.89) 100 1.991(45.52) 70 Oregonite Ni2FeAs2
2.120(42.61) 100 2.449(36.66) 72 1.500(61.80) 45 Osbornite TiN
2.122(42.57) 100 0.867(125.36) 100 0.802(147.66) 70 Skaergaardite CuPd
2.124(42.53) 100 2.230(40.41) 97 1.911(47.54) 44 IMA2007-036 TiFeSi2
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 1.224(78.00) 80 1.059(93.33) 40 Bortnikovite Pd4Cu3Zn
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 2.332(38.58) 100 3.010(29.65) 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 3.010(29.65) 100 1.510(61.34) 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 2.210(40.80) 90 2.600(34.47) 70 Palladoarsenide Pd2As
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)
2.144(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 2.290(39.31) 55 2.360(38.10) 40 Taimyrite (Pd,Cu,Pt)3Sn
2.150(41.99) 100 2.050(44.14) 100 1.486(62.44) 100 Niggliite PtSn
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 2.550(35.16) 80 3.030(29.45) 70 Stutzite Ag5-xTe3,(x=0.24-0.36)
2.160(41.78) 100 3.930(22.61) 75 2.780(32.17) 63 Antarcticite CaCl2•6(H2O)
2.163(41.72) 100 1.516(61.07) 100 3.190(27.95) 100 Babefphite BaBe(PO4)(F,O)
2.163(41.72) 100 1.299(72.74) 100 1.529(60.50) 80 Khamrabaevite (Ti,V,Fe)C
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 1.995(45.42) 70 1.955(46.41) 70 Nickelphosphide (Ni,Fe)3P
2.170(41.58) 100 1.955(46.41) 70 1.995(45.42) 70 Nickelphosphide (Ni,Fe)3P
2.172(41.54) 100 2.708(33.05) 100 2.648(33.82) 90 Crawfordite Na3Sr(PO4)(CO3)

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