Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er 3+–Lu3+) and Ba2RE2 Si4O13 (RE = La3+–Ho3+ )
Abstract
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.
- Publication Date:
- Research Org.:
- Clemson Univ., SC (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; National Science Foundation (NSF)
- OSTI Identifier:
- 1596460
- Grant/Contract Number:
- SC0014271; DMR-1410727
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Acta Crystallographica. Section B, Structural Science, Crystal Engineering and Materials (Online)
- Additional Journal Information:
- Journal Name: Acta Crystallographica. Section B, Structural Science, Crystal Engineering and Materials (Online); Journal Volume: 73; Journal Issue: 5; Journal ID: ISSN 2052-5206
- Publisher:
- International Union of Crystallography
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; silicates; rare earth; lanthanide; hydrothermal
Citation Formats
Fulle, Kyle, Sanjeewa, Liurukara D., McMillen, Colin D., and Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er 3+–Lu3+) and Ba2RE2 Si4O13 (RE = La3+–Ho3+ ). United States: N. p., 2017.
Web. doi:10.1107/S2052520617009544.
Fulle, Kyle, Sanjeewa, Liurukara D., McMillen, Colin D., & Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er 3+–Lu3+) and Ba2RE2 Si4O13 (RE = La3+–Ho3+ ). United States. https://doi.org/10.1107/S2052520617009544
Fulle, Kyle, Sanjeewa, Liurukara D., McMillen, Colin D., and Kolis, Joseph W. Tue .
"Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er 3+–Lu3+) and Ba2RE2 Si4O13 (RE = La3+–Ho3+ )". United States. https://doi.org/10.1107/S2052520617009544. https://www.osti.gov/servlets/purl/1596460.
@article{osti_1596460,
title = {Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er 3+–Lu3+) and Ba2RE2 Si4O13 (RE = La3+–Ho3+ )},
author = {Fulle, Kyle and Sanjeewa, Liurukara D. and McMillen, Colin D. and Kolis, Joseph W.},
abstractNote = {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.},
doi = {10.1107/S2052520617009544},
journal = {Acta Crystallographica. Section B, Structural Science, Crystal Engineering and Materials (Online)},
number = 5,
volume = 73,
place = {United States},
year = {Tue Jun 27 00:00:00 EDT 2017},
month = {Tue Jun 27 00:00:00 EDT 2017}
}
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