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

Journal Article · Sat Jan 15 00:00:00 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]

---

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, Vol. 184, Issue 1; Other Information: DOI: 10.1016/j.jssc.2010.11.018; PII: S0022-4596(10)00524-4; Copyright (c) 2010 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

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