Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2 RE2 Si4 O12 F2 (RE = Er3+-Lu3+) and Ba2 RE2 Si4 O13 (RE = la3+-Ho3+)

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

doi:10.1107/S2052520617009544

Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba₂ RE₂ Si₄ O₁₂ F₂ (RE = Er³⁺-Lu³⁺) and Ba₂ RE₂ Si₄ O₁₃ (RE = la³⁺-Ho³⁺)

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

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

10 Scopus citations

Abstract

Structural variations across a series of barium rare earth (RE) tetrasilicates are studied. Two different formulas are observed, namely those of a new cyclo-silicate fluoride, BaRE₂ Si ₄ O ₁₂ F ₂ (RE = Er ³⁺-Lu ³⁺) and new compounds in the Ba ₂ RE ₂ Si ₄ O ₁₃ (RE = La ³⁺-Ho³⁺) family, covering the whole range of ionic radii for the rare earth ions. The Ba ₂ RE ₂ Si ₄ O ₁₃ series is further subdivided into two polymorphs, also showing a dependence on rare earth ionic radius (space group for La ³⁺-Nd ³⁺, and space group C2/c for Sm ³⁺-Ho ³⁺). 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 of f-block incorporation in oxyanion frameworks. The single crystals are grown from high-temperature (ca 953 K) hydrothermal fluids, demonstrating the versatility of the technique to access new phases containing recalcitrant rare earth oxides, enabling the study of structural trends.

Original language	English
Pages (from-to)	907-915
Number of pages	9
Journal	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
Volume	73
DOIs	https://doi.org/10.1107/S2052520617009544
State	Published - 2017
Externally published	Yes

Funding

The following funding is acknowledged: National Science Foundation, Division of Materials Research (award No. NSF-DMR-1410727).

Keywords

hydrothermal
lanthanide
rare earth
silicates

Access to Document

10.1107/S2052520617009544

Cite this

@article{3c4c1b9b42b643e6b1a505a3b27ff006,

title = "Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2 RE2 Si4 O12 F2 (RE = Er3+-Lu3+) and Ba2 RE2 Si4 O13 (RE = la3+-Ho3+)",

abstract = "Structural variations across a series of barium rare earth (RE) tetrasilicates are studied. Two different formulas are observed, namely those of a new cyclo-silicate fluoride, BaRE2 Si 4 O 12 F 2 (RE = Er 3+-Lu 3+) and new compounds in the Ba 2 RE 2 Si 4 O 13 (RE = La 3+-Ho3+) family, covering the whole range of ionic radii for the rare earth ions. The Ba 2 RE 2 Si 4 O 13 series is further subdivided into two polymorphs, also showing a dependence on rare earth ionic radius (space group for La 3+-Nd 3+, and space group C2/c for Sm 3+-Ho 3+). 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 of f-block incorporation in oxyanion frameworks. The single crystals are grown from high-temperature (ca 953 K) hydrothermal fluids, demonstrating the versatility of the technique to access new phases containing recalcitrant rare earth oxides, enabling the study of structural trends.",

keywords = "hydrothermal, lanthanide, rare earth, silicates",

author = "Kyle Fulle and Sanjeewa, \{Liurukara D.\} and McMillen, \{Colin D.\} and Kolis, \{Joseph W.\}",

note = "Publisher Copyright: {\textcopyright} 2017 International Union of Crystallography.",

year = "2017",

doi = "10.1107/S2052520617009544",

language = "English",

volume = "73",

pages = "907--915",

journal = "Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials",

issn = "2052-5192",

publisher = "International Union of Crystallography",

}

Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba₂ RE₂ Si₄ O₁₂ F₂ (RE = Er³⁺-Lu³⁺) and Ba₂ RE₂ Si₄ O₁₃ (RE = la³⁺-Ho³⁺). / Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D. et al.
In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 73, 2017, p. 907-915.

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

TY - JOUR

T1 - Crystal chemistry and the role of ionic radius in rare earth tetrasilicates

T2 - Ba2 RE2 Si4 O12 F2 (RE = Er3+-Lu3+) and Ba2 RE2 Si4 O13 (RE = la3+-Ho3+)

AU - Fulle, Kyle

AU - Sanjeewa, Liurukara D.

AU - McMillen, Colin D.

AU - Kolis, Joseph W.

PY - 2017

Y1 - 2017

N2 - Structural variations across a series of barium rare earth (RE) tetrasilicates are studied. Two different formulas are observed, namely those of a new cyclo-silicate fluoride, BaRE2 Si 4 O 12 F 2 (RE = Er 3+-Lu 3+) and new compounds in the Ba 2 RE 2 Si 4 O 13 (RE = La 3+-Ho3+) family, covering the whole range of ionic radii for the rare earth ions. The Ba 2 RE 2 Si 4 O 13 series is further subdivided into two polymorphs, also showing a dependence on rare earth ionic radius (space group for La 3+-Nd 3+, and space group C2/c for Sm 3+-Ho 3+). 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 of f-block incorporation in oxyanion frameworks. The single crystals are grown from high-temperature (ca 953 K) hydrothermal fluids, demonstrating the versatility of the technique to access new phases containing recalcitrant rare earth oxides, enabling the study of structural trends.

AB - Structural variations across a series of barium rare earth (RE) tetrasilicates are studied. Two different formulas are observed, namely those of a new cyclo-silicate fluoride, BaRE2 Si 4 O 12 F 2 (RE = Er 3+-Lu 3+) and new compounds in the Ba 2 RE 2 Si 4 O 13 (RE = La 3+-Ho3+) family, covering the whole range of ionic radii for the rare earth ions. The Ba 2 RE 2 Si 4 O 13 series is further subdivided into two polymorphs, also showing a dependence on rare earth ionic radius (space group for La 3+-Nd 3+, and space group C2/c for Sm 3+-Ho 3+). 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 of f-block incorporation in oxyanion frameworks. The single crystals are grown from high-temperature (ca 953 K) hydrothermal fluids, demonstrating the versatility of the technique to access new phases containing recalcitrant rare earth oxides, enabling the study of structural trends.

KW - hydrothermal

KW - lanthanide

KW - rare earth

KW - silicates

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EP - 915

JO - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

JF - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

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