Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er 3+–Lu3+) and Ba2RE2 Si4O13 (RE = La3+–Ho3+ )

Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.

doi:10.1107/S2052520617009544

Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba₂RE₂Si₄O₁₂F₂ (RE = Er ³⁺–Lu³⁺) and Ba₂RE₂ Si₄O₁₃ (RE = La³⁺–Ho³⁺ )

Journal Article · Tue Jun 27 00:00:00 EDT 2017 · Acta Crystallographica. Section B, Structural Science, Crystal Engineering and Materials (Online)

DOI:https://doi.org/10.1107/S2052520617009544· OSTI ID:1596460

^[1]; ^[2]; ^[2]; Kolis, Joseph W. ^[2]

Clemson Univ., SC (United States); Clemson University Department of Chemistry
Clemson Univ., SC (United States)

Structural variations across a series of barium rare earth (RE) tetrasilicates are studied. Two different formulas are observed here, namely those of a new cyclo-silicate fluoride, BaRE₂Si₄O₁₂F₂(RE = Er³⁺–Lu³⁺) and new compounds in the Ba₂RE₂Si₄O₁₃(RE = La³⁺–Ho³⁺) family, covering the whole range of ionic radii for the rare earth ions. The Ba₂RE₂Si₄O₁₃series is further subdivided into two polymorphs, also showing a dependence on rare earth ionic radius (space group P{\overline 1} for La³⁺–Nd³⁺, and space groupC2/cfor Sm³⁺–Ho³⁺). Two of the structure types identified are based on dinuclear rare earth units that differ in their crystal chemistries, particularly with respect to the role of fluorine as a structural director. The broad study of rare earth ions provides greater insight into understanding structural variations within silicate frameworks and the nature off-block incorporation in oxyanion frameworks. The single crystals are grown from high-temperature (ca953 K) hydrothermal fluids, showing the versatility of the technique to access new phases containing recalcitrant rare earth oxides, enabling the study of structural trends.

View Accepted Manuscript (DOE)

Research Organization:: Clemson Univ., SC (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; National Science Foundation (NSF)

Grant/Contract Number:: SC0014271

OSTI ID:: 1596460

Journal Information:: Acta Crystallographica. Section B, Structural Science, Crystal Engineering and Materials (Online), Journal Name: Acta Crystallographica. Section B, Structural Science, Crystal Engineering and Materials (Online) Journal Issue: 5 Vol. 73; ISSN ACSBDA; ISSN 2052-5206

Publisher:: International Union of CrystallographyCopyright Statement

Country of Publication:: United States

Language:: English

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Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er 3+–Lu3+) and Ba2RE2 Si4O13 (RE = La3+–Ho3+ )

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Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba₂RE₂Si₄O₁₂F₂ (RE = Er ³⁺–Lu³⁺) and Ba₂RE₂ Si₄O₁₃ (RE = La³⁺–Ho³⁺ )