Chapter 3. Zircon

Speer, J. Alexander

doi:10.1515/9781501508622-008

Cited by 81 publications

(65 citation statements)

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“…1 can be viewed as consisting of (SiO 4 ) 4− anions and Hf 4+ cations, which shows it consists of alternating (discrete) SiO 4 tetrahedra and HfO 8 units, sharing edges to form chains parallel to the c direction [33]. The Hf atom coordinates of tetragonal HfSiO 4 are at the 4a site Table 1 along with previous theoretical [28,33,37] and experimental data [38,39], which shows that our calculated structural properties are in agreement with the available theoretical and experimental results. The ability of our approach to reproduce the experimental results of structural parameters indicates that it is capable of accurately predicting other properties of tetragonal HfSiO 4 .…”

Section: Structural Propertiesmentioning

confidence: 71%

“…where h is Planck's constant; k, Boltzmann's constant; n, the number of atoms in unit cell; N, Avogadro's number; ρ, the Table 1 Optimized structural parameters for tetragonal HfSiO 4 together with available theoretical [28,33,37] and experimental data [38,39] CASTEP WC CASTEP GGA [28] ABINIT LDA [33] VASP GGA [37] Expt. [38] Expt.…”

Section: Elastic and Mechanical Propertiesmentioning

confidence: 99%

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First-Principles Investigations on Structural, Elastic, Electronic, and Optical Properties of Tetragonal HfSiO4

Liu

Feng

et al. 2012

Braz J Phys

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Structural parameters, elastic, mechanical, electronic, chemical bonding, and optical properties of tetragonal HfSiO 4 have been investigated using the plane-wave ultrasoft pseudopotential technique based on the firstprinciples density-functional theory. The ground-state properties obtained by minimizing the total energy are in agreement with the available experimental and theoretical data. This compound is found to be mechanically stable, and we have obtained the bulk, shear, and Young's modulus; Poisson's coefficient; and Lamé's constants. We have estimated the Debye temperature of tetragonal HfSiO 4 from the acoustic velocity. Electronic and chemical bonding properties have been studied. Moreover, the complex dielectric function, refractive index, extinction coefficient, absorption coefficient, energy-loss spectrum, optical reflectivity, and complex conductivity function are calculated and analyzed.

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Section: Structural Propertiesmentioning

confidence: 71%

Section: Elastic and Mechanical Propertiesmentioning

confidence: 99%

First-Principles Investigations on Structural, Elastic, Electronic, and Optical Properties of Tetragonal HfSiO4

Liu

Feng

et al. 2012

Braz J Phys

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“…In addition, while zircon trace element contents showed some changes within the same rock type, many elements behaved coherently, such as REE and P, Nb and Ta, Th and Y, Th and U, with all showing positive correlations (Figure 7). These patterns could be explained by the fact that in the zircon crystallization process, through the substitution effect of (REE, Y) 3+ +P 5+ =Zr 4+ +Si 4+ [28], REE and P substitute directly for Zr and Si. In addition, melt extraction and crystallization of minerals caused a change in magma composition.…”

Section: Discussionmentioning

confidence: 99%

Magma mixing of granites at Lianghe: In-situ zircon analysis for trace elements, U-Pb ages and Hf isotopes

Cong

Shen

Guang-fu

et al. 2011

Sci. China Earth Sci.

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In this paper, we report an integrated study of trace element, U-Pb age and Hf isotopic composition of zircons from alkali feldspar granites, granodiorites and diorite enclaves in a recently discovered ring complex at Lianghe in western Yunnan, China. The granitoids showed identical U-Pb ages of 127, 115 and 122 Ma, from felsic to mafic, but had different zircon trace elements and Hf isotopic compositions. Trace element content decreased with a gradual increase in ε Hf (t) values of −9.1 to −5.4, −4.5 to 0, and 3.6 to 6.2, respectively. Results indicate that changes in zircon trace elements generally correlate with changes in Hf isotope signatures within single samples and among various granitoids. These relationships reflect the mixing of felsic and mafic magmas. Evidence indicates that depleted mantle-derived mafic magma underplating caused ancient crustal melting, and then formed large-scale granites in Lianghe during the Early Cretaceous. These granodiorites were formed mainly by the mixing of mafic magma and granitic magma.

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“…However, numerous studies have observed an excess of total REE compared with P (i.e., [(Y ? REE)/P] atomic [ 1), indicating that at least one other substitutional mechanism occurs (Cavosie et al 2006;Hinton and Upton 1991;Pidgeon et al 1998;Speer 1982). Possible substitutions are summarized in Table 1.…”

Section: Substitution In Zirconsmentioning

confidence: 99%

Li isotopes and trace elements as a petrogenetic tracer in zircon: insights from Archean TTGs and sanukitoids

Bouvier

Ushikubo

Kita

et al. 2011

Contrib Mineral Petrol

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We report d 7 Li, Li abundance ([Li]), and other trace elements measured by ion probe in igneous zircons from TTG (tonalite, trondhjemite, and granodiorite) and sanukitoid plutons from the Superior Province (Canada) in order to characterize Li in zircons from typical Archean continental crust. These data are compared with detrital zircons from the Jack Hills (Western Australia) with U-Pb ages greater than 3.9 Ga for which parent rock type is not known. Most of the TTG and sanukitoid zircon domains preserve typical igneous REE patterns and CL zoning.[Li] ranges from 0.5 to 79 ppm, typical of [Li] in continental zircons. Atomic ratios of (Y ? REE)/(Li ? P) average 1.0 ± 0.7 (2SD) for zircons with magmatic composition preserved, supporting the hypothesis that Li is interstitial and charge compensates substitution of trivalent cations. This substitution results in a relatively slow rate of Li diffusion. The d 7 Li and trace element data constrain the genesis of TTGs and sanukitoids. [Li] in zircons from granitoids is significantly higher than from zircons in primitive magmas in oceanic crust. TTG zircons have d 7 Li (3 ± 8%) and d 18 O in the range of primitive mantlederived magmas. Sanukitoid zircons have average d 7 Li (7 ± 8%) and d 18 O higher than those of TTGs supporting genesis by melting of fluid-metasomatized mantle wedge. The Li systematics in sanukitoid and TTG zircons indicate that high [Li] in pre-3.9-Ga Jack Hills detrital zircons is a primary igneous composition and suggests the growth in proto-continental crust in magmas similar to Archean granitoids.

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Chapter 3. Zircon

Cited by 81 publications

References 0 publications

First-Principles Investigations on Structural, Elastic, Electronic, and Optical Properties of Tetragonal HfSiO4

First-Principles Investigations on Structural, Elastic, Electronic, and Optical Properties of Tetragonal HfSiO4

Magma mixing of granites at Lianghe: In-situ zircon analysis for trace elements, U-Pb ages and Hf isotopes

Li isotopes and trace elements as a petrogenetic tracer in zircon: insights from Archean TTGs and sanukitoids

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