The crystal structure of {pi}-ErBO{sub 3}: New single-crystal data for an old problem

Journal Article · Fri Jan 14 23:00:00 EST 2011 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2010.11.018· OSTI ID:21494182

Pitscheider, Almut ^[1]; Kaindl, Reinhard ^[2]; Oeckler, Oliver ^[3]; Huppertz, Hubert ^[1]

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1. Institut fuer Allgemeine, Anorganische und Theoretische Chemie, Leopold-Franzens-Universitaet Innsbruck, Innrain 52a, A-6020 Innsbruck (Austria)
2. Institut fuer Mineralogie und Petrographie, Leopold-Franzens-Universitaet Innsbruck, Innrain 52, A-6020 Innsbruck (Austria)
3. Department Chemie, Ludwig-Maximilians-Universitaet Muenchen, Butenandtstrasse 5-13, D-81377 Muenchen (Germany)

Single crystals of the orthoborate {pi}-ErBO{sub 3} were synthesized from Er{sub 2}O{sub 3} and B{sub 2}O{sub 3} under high-pressure/high-temperature conditions of 2 GPa and 800 {sup o}C in a Walker-type multianvil apparatus. The crystal structure was determined on the basis of single-crystal X-ray diffraction data, collected at room temperature. The title compound crystallizes in the monoclinic pseudowollastonite-type structure, space group C2/c, with the lattice parameters a=1128.4(2) pm, b=652.6(2) pm, c=954.0(2) pm, and {beta}=112.8(1){sup o} (R{sub 1}=0.0124 and wR{sub 2}=0.0404 for all data). -- graphical abstract: The first satisfying single-crystal structure determination of {pi}-ErBO{sub 3} sheds light on the extensively discussed structure of {pi}-orthoborates. The application of light pressure during the solid state synthesis yielded in high-quality crystals, due to pressure-induced crystallization. Research highlights: {yields} High-quality single crystals of {pi}-ErBO{sub 3} were prepared via high-pressure-induced crystallization. {yields} At least five different space groups for the rare-earth {pi}-orthoborates are reported. {yields} {pi}-ErBO{sub 3} is isotypic to the pseudowollastonite-type CaSiO{sub 3}. {yields} Remaining ambiguities regarding the structure of the rare-earth {pi}-orthoborates are resolved.

• OSTI ID: 21494182
• Journal Information: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 1 Vol. 184; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
ALKALINE EARTH METAL COMPOUNDS
BORATES
BORON COMPOUNDS
BORON OXIDES
CALCIUM COMPOUNDS
CALCIUM SILICATES
CHALCOGENIDES
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CRYSTALLIZATION
CRYSTALS
DIFFRACTION
ERBIUM COMPOUNDS
ERBIUM OXIDES
LATTICE PARAMETERS
MONOCLINIC LATTICES
MONOCRYSTALS
OXIDES
OXYGEN COMPOUNDS
PHASE TRANSFORMATIONS
PRESSURE RANGE
PRESSURE RANGE GIGA PA
RARE EARTH COMPOUNDS
SCATTERING
SILICATES
SILICON COMPOUNDS
SPACE GROUPS
SYMMETRY GROUPS
SYNTHESIS
TEMPERATURE RANGE
TEMPERATURE RANGE 0273-0400 K
TEMPERATURE RANGE 1000-4000 K
X-RAY DIFFRACTION