Structure and Thermal Expansion of Calcium-Thorium Apatite, [Ca4]F[Ca2Th4]T[(SiO4)6]O2

Evgeny N. Bulanov; Jingxian Wang; Alexander V. Knyazev; Tim White; Marina E. Manyakina; Tom Baikie; Alexander N. Lapshin; Zhi Li Dong

doi:10.1021/acs.inorgchem.5b01977

Structure and Thermal Expansion of Calcium-Thorium Apatite, [Ca₄]^F[Ca₂Th₄]^T[(SiO₄)₆]O₂

Evgeny N. Bulanov^*, Jingxian Wang, Alexander V. Knyazev, Tim White, Marina E. Manyakina, Tom Baikie, Alexander N. Lapshin, Zhi Li Dong

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

13 Citations (Scopus)

Abstract

Thorium silicate apatite with the formula [Ca_3.84Th_0.16]F[Ca_2.79Th_3.21]T(SiO₄)6O₂·x(H) was synthesized by solid-state reaction, and its structure refined in P63/m from powder X-ray diffraction (XRD) data using the Rietveld method (a = 9.50172(9) Å, c = 6.98302(8) Å, V = 545.98(1) Å³; R-Bragg = 2.102%). It was found that thorium partitions strongly to the tunnel (T) 6h position rather than the framework (F) 4f site. Fourier transform infrared spectroscopy revealed only SiO₄ tetrahedron, with SiO₅ and SiO₆ groups, sometimes observed in siliceous apatites absent, at least to the limit of detection of this technique. Thermal expansion of the thorium apatite determined by high-temperature XRD from 298-1173 K found Δa (0.87%) dilation to exceed Δc (0.73%) with increasing temperature consistent with other silicate apatites.

Original language	English
Pages (from-to)	11356-11361
Number of pages	6
Journal	Inorganic Chemistry
Volume	54
Issue number	23
DOIs	https://doi.org/10.1021/acs.inorgchem.5b01977
Publication status	Published - Nov 12 2015
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2015 American Chemical Society.

ASJC Scopus Subject Areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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10.1021/acs.inorgchem.5b01977

Cite this

@article{b3b8afb7232e4e48b37be4557dec2cb7,

title = "Structure and Thermal Expansion of Calcium-Thorium Apatite, [Ca4]F[Ca2Th4]T[(SiO4)6]O2",

abstract = "Thorium silicate apatite with the formula [Ca3.84Th0.16]F[Ca2.79Th3.21]T(SiO4)6O2·x(H) was synthesized by solid-state reaction, and its structure refined in P63/m from powder X-ray diffraction (XRD) data using the Rietveld method (a = 9.50172(9) {\AA}, c = 6.98302(8) {\AA}, V = 545.98(1) {\AA}3; R-Bragg = 2.102%). It was found that thorium partitions strongly to the tunnel (T) 6h position rather than the framework (F) 4f site. Fourier transform infrared spectroscopy revealed only SiO4 tetrahedron, with SiO5 and SiO6 groups, sometimes observed in siliceous apatites absent, at least to the limit of detection of this technique. Thermal expansion of the thorium apatite determined by high-temperature XRD from 298-1173 K found Δa (0.87%) dilation to exceed Δc (0.73%) with increasing temperature consistent with other silicate apatites.",

author = "Bulanov, {Evgeny N.} and Jingxian Wang and Knyazev, {Alexander V.} and Tim White and Manyakina, {Marina E.} and Tom Baikie and Lapshin, {Alexander N.} and Dong, {Zhi Li}",

note = "Publisher Copyright: {\textcopyright} 2015 American Chemical Society.",

year = "2015",

month = nov,

day = "12",

doi = "10.1021/acs.inorgchem.5b01977",

language = "English",

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T1 - Structure and Thermal Expansion of Calcium-Thorium Apatite, [Ca4]F[Ca2Th4]T[(SiO4)6]O2

AU - Bulanov, Evgeny N.

AU - Wang, Jingxian

AU - Knyazev, Alexander V.

AU - White, Tim

AU - Manyakina, Marina E.

AU - Baikie, Tom

AU - Lapshin, Alexander N.

AU - Dong, Zhi Li

PY - 2015/11/12

Y1 - 2015/11/12

N2 - Thorium silicate apatite with the formula [Ca3.84Th0.16]F[Ca2.79Th3.21]T(SiO4)6O2·x(H) was synthesized by solid-state reaction, and its structure refined in P63/m from powder X-ray diffraction (XRD) data using the Rietveld method (a = 9.50172(9) Å, c = 6.98302(8) Å, V = 545.98(1) Å3; R-Bragg = 2.102%). It was found that thorium partitions strongly to the tunnel (T) 6h position rather than the framework (F) 4f site. Fourier transform infrared spectroscopy revealed only SiO4 tetrahedron, with SiO5 and SiO6 groups, sometimes observed in siliceous apatites absent, at least to the limit of detection of this technique. Thermal expansion of the thorium apatite determined by high-temperature XRD from 298-1173 K found Δa (0.87%) dilation to exceed Δc (0.73%) with increasing temperature consistent with other silicate apatites.

AB - Thorium silicate apatite with the formula [Ca3.84Th0.16]F[Ca2.79Th3.21]T(SiO4)6O2·x(H) was synthesized by solid-state reaction, and its structure refined in P63/m from powder X-ray diffraction (XRD) data using the Rietveld method (a = 9.50172(9) Å, c = 6.98302(8) Å, V = 545.98(1) Å3; R-Bragg = 2.102%). It was found that thorium partitions strongly to the tunnel (T) 6h position rather than the framework (F) 4f site. Fourier transform infrared spectroscopy revealed only SiO4 tetrahedron, with SiO5 and SiO6 groups, sometimes observed in siliceous apatites absent, at least to the limit of detection of this technique. Thermal expansion of the thorium apatite determined by high-temperature XRD from 298-1173 K found Δa (0.87%) dilation to exceed Δc (0.73%) with increasing temperature consistent with other silicate apatites.

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