The crystal structure of baddeleyite (monoclinic ZrO<sub>2</sub>) and its relation to the polymorphism of ZrO<sub>2</sub>

Smith, D. K.; Newkirk, W.

doi:10.1107/s0365110x65002402

Cited by 586 publications

(250 citation statements)

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“…Among the listed only the relation (1) has been observed experimentally earlier [31,33,[35][36][37][38]. The relation (3) has been suggested by Bailey [31], but no experimental evidence of its existence has been reported.…”

Section: (013) and T(116)mentioning

confidence: 84%

HRTEM observation of the monoclinic-to-tetragonal m-t) phase transition in nanocrystalline ZrO₂

Kasatkin

Girgsdies

Ressler

et al. 2004

Journal of Materials Science

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Section: (013) and T(116)mentioning

confidence: 84%

HRTEM observation of the monoclinic-to-tetragonal m-t) phase transition in nanocrystalline ZrO₂

Kasatkin

Girgsdies

Ressler

et al. 2004

Journal of Materials Science

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“…Spectra on model 297 compounds were collected at high-energy resolution of the incident beam using a Si 298 Smith and Newkirk, 1965). The XANES spectra are 306 very sensitive to the local structural environment of Zr.…”

Section: Zr Xanes Spectra Of Model Compounds 295mentioning

confidence: 99%

Zircon solubility and zirconium complexation in H2O+Na2O+SiO2±Al2O3 fluids at high pressure and temperature

Wilke

Schmidt

Dubrail

et al. 2012

Earth and Planetary Science Letters

118

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1Zircon is an important host mineral for many high-field strength elements (HFSE), 2 particularly Zr and Hf. Thus, its solubility in geologic fluids at high pressure and 3 temperature plays an important role in terrestrial cycling of these elements during 4 processes in the Earth's crust and mantle. We performed in-situ high-pressure, high-5 with zircon provide evidence for strong differences in the Zr complexation between 22 these fluids. Comparison of XANES spectra to those of model compounds and ab-23 initio simulation of XANES spectra revealed [8] Zr for the HCl solution, [7] Zr for the 24 NaOH solution, and [6] Zr for the Na-Al-silicate-bearing solutions. For the latter 25 3 solutions, formation of alkali zircono-silicate complexes is indicated by the strong 26 dependence of zircon solubility on Na/Al and the similarity of the XANES spectra to 27 spectra simulated based on the local structure around Zr in the alkali zircono-silicates 28 vlasovite and catapleite. Alkali zircono-silicate complexes are responsible for the 29 enhancement of Zr concentrations in Na-Al-silicate-bearing solutions and very likely 30 play an important role for mobilization of HFSE in during fluid-rock interaction. 31Because high alkali/Al can be expected in aqueous fluids at high pressure and 32 temperature due to incongruent dissolution of feldspar and mica, the increase of 33 zircon solubility along the NaAlSi 3 O 8 -Na 2 Si 3 O 7 join points to potentially considerable 34

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“…The standard crystallographic data for the refinement of m-ZrO2, t-ZrO2, c-ZrO2, ZrSiO4 and c-SiO2 were obtained from Smith et.al., 18 Howard et.al., 19 Wyckoff, 20 Hazen et.al. 21 and Dera et al 22 respectively.…”

Section: Powder Characterizationmentioning

confidence: 99%

Tetragonal to Cubic Transformation of SiO₂-Stabilized ZrO₂ Polymorph through Dysprosium Substitutions

2017

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Partially stabilized tetragonal zirconia (t-ZrO2) is of particular interest for hard tissue replacements. Ageing related failures of the ceramic associated with the gradual transformation from t-ZrO2 to m-ZrO2 (monoclinic zirconia) can lead to its premature removal from the implant site. In addition, monitoring the satisfactory performance of the implant throughout its life span without invasive techniques is a challenging task. The magnetic resonance imaging (MRI) contrast ability of dysprosium (Dy 3+ ) is well established. To this aim, varied levels of Dy 3+ additions in the ZrO2-SiO2 binary oxide system have been explored. The results indicate the effective role of Dy 3+ in the formation of thermally and mechanically stable c-ZrO2 (cubic zirconia) phase at higher temperatures. The presence of SiO2 influenced the t-ZrO2 stabilization whereas Dy 3+ tends to occupy the ZrO2 lattice sites to induce c-ZrO2 transition. Magnetic and magnetic resonance imaging (MRI) tests displayed the commendable contrast ability of Dy 3+ stabilized ZrO2-SiO2 binary systems. Nanoindentation results demonstrate a remarkable enhancement on the mechanical properties.Keywords: Silica; Zirconia; Dysprosium; Stabilization; Mechanical. 3 IntroductionThe demand for bone implants is growing rapidly due to the increasing incidents of trauma and age related defects caused by osteoporosis. In view of the above potential advantages of Dy 3+ as an addition to ZrO2-SiO2 binary oxides in terms of increased t-ZrO2 stability and enhance MRI image contrast, we present a study of the influence of Dy 3+ on the ZrO2-SiO2 binary oxide system through in-situ sol-gel synthesis, followed by a systematic analysis of the resulting phase composition and structure, mechanical strength and imaging contrast features. Materials and Methods Powder synthesisThe synthesis of Dy 3+ doped ZrO2-SiO2 (DZS) binary oxides was achieved through the sol-gel method. Analytical grade Dy(NO3)3.H2O, ZrOCl2·8H2O and (C2H5)4OSi (TEOS), all procured from Sigma-Aldrich, India, were taken as precursors for the synthesis. The molar concentrations of ZrOCl2·8H2O and (C2H5)4OSi were maintained at a constant ratio of 1: 1 throughout the 5 synthesis whereas the Dy(NO3)3 additions were adjusted to obtain a wide range of compositions.Additionally, a pure ZrO2-SiO2 binary with 1:1 molar ratio was prepared for comparative purposes. The molar concentrations of the different precursors and the respective sample codes are reported in Table 1; the same codes will be used throughout the manuscript. The synthetic procedure is briefly explained as follows. Previously prepared Dy(NO3)3 stock solution as detailed in Table 1 was added to the ZrOCl2 solution under vigorous stirring. The required amount of ethanol was added to this continuously stirred mixture at an operating temperature of 80 °C for 30 minutes. This was followed by the addition of 1 M TEOS to the solution under constant stirring conditions and finally 0.1 M of HNO3 was added to this mixture as a catalyst. The homogeneous solut...

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The crystal structure of baddeleyite (monoclinic ZrO₂) and its relation to the polymorphism of ZrO₂

Cited by 586 publications

References 1 publication

HRTEM observation of the monoclinic-to-tetragonal m-t) phase transition in nanocrystalline ZrO₂

HRTEM observation of the monoclinic-to-tetragonal m-t) phase transition in nanocrystalline ZrO₂

Zircon solubility and zirconium complexation in H2O+Na2O+SiO2±Al2O3 fluids at high pressure and temperature

Tetragonal to Cubic Transformation of SiO₂-Stabilized ZrO₂ Polymorph through Dysprosium Substitutions

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The crystal structure of baddeleyite (monoclinic ZrO2) and its relation to the polymorphism of ZrO2

Cited by 586 publications

References 1 publication

HRTEM observation of the monoclinic-to-tetragonal m-t) phase transition in nanocrystalline ZrO2

HRTEM observation of the monoclinic-to-tetragonal m-t) phase transition in nanocrystalline ZrO2

Zircon solubility and zirconium complexation in H2O+Na2O+SiO2±Al2O3 fluids at high pressure and temperature

Tetragonal to Cubic Transformation of SiO2-Stabilized ZrO2 Polymorph through Dysprosium Substitutions

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The crystal structure of baddeleyite (monoclinic ZrO₂) and its relation to the polymorphism of ZrO₂

HRTEM observation of the monoclinic-to-tetragonal m-t) phase transition in nanocrystalline ZrO₂

HRTEM observation of the monoclinic-to-tetragonal m-t) phase transition in nanocrystalline ZrO₂

Tetragonal to Cubic Transformation of SiO₂-Stabilized ZrO₂ Polymorph through Dysprosium Substitutions