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

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.
Authors:
 [1] ;  [2] ;  [3] ;  [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)
Publication Date:
OSTI Identifier:
21494182
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 184; Journal 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.
Country of Publication:
United States
Language:
English
Subject:
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; ERBIUM COMPOUNDS; OXIDES; OXYGEN COMPOUNDS; PHASE TRANSFORMATIONS; PRESSURE RANGE; RARE EARTH COMPOUNDS; SCATTERING; SILICATES; SILICON COMPOUNDS; SYMMETRY GROUPS; TEMPERATURE RANGE