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Title: Synthesis and crystal structure of the isotypic rare earth thioborates Ce[BS{sub 3}], Pr[BS{sub 3}], and Nd[BS{sub 3}]

The orthothioborates Ce[BS{sub 3}], Pr[BS{sub 3}] and Nd[BS{sub 3}] were prepared from mixtures of the rare earth (RE) metals together with amorphous boron and sulfur summing up to the compositions CeB{sub 3}S{sub 6}, PrB{sub 5}S{sub 9} and NdB{sub 3}S{sub 6}. The following preparation routes were used: solid state reactions with maximum temperatures of 1323 K and high-pressure high-temperature syntheses at 1173 K and 3 GPa. Pr[BS{sub 3}] and Nd[BS{sub 3}] were also obtained from rare earth chlorides RECl{sub 3} and sodium thioborate Na{sub 2}B{sub 2}S{sub 5} by metathesis type reactions at maximum temperatures of 1073 K. The crystal structure of the title compounds was determined from X-ray powder diffraction data. The thioborates are isotypic and crystallize in the orthorhombic spacegroup Pna2{sub 1} (No. 33; Z=4; Ce: a=7.60738(6)A, b=6.01720(4)A, c=8.93016(6)A; Pr: a=7.56223(4)A, b=6.00876(2)A, c=8.89747(4)A; Nd: a=7.49180(3)A, b=6.00823(2)A, c=8.86197(3)A) . The crystal structures contain isolated [BS{sub 3}]{sup 3-} groups with boron in trigonal-planar coordination. The sulfur atoms form the vertices of undulated kagome nets, which are stacked along [100] according to the sequence ABAB. Within these nets every second triangle is occupied by boron and the large hexagons are centered by rare earth ions, which are surrounded by overall nine sulfur species.more » - Abstract: Graphical Abstract Legend (TOC Figure): Table of Contents Figure The isotypic orthothioborates Ce[BS{sub 3}], Pr[BS{sub 3}] and Nd[BS{sub 3}] were prepared using different preparation routes. The crystal structure of the title compounds was determined from X-ray powder diffraction data. The crystal structures contain isolated [BS{sub 3}]{sup 3-} groups with boron in trigonal-planar coordination. The sulfur atoms form the vertices of corrugated kagome nets (sketched with blue dotted lines), which are stacked along [100] according to the sequence ABAB. Within these nets every second triangle is occupied by boron and the large hexagons are centered by rare earth ions, which are surrounded by overall nine sulfur species.« less
Authors:
;  [1] ;  [1]
  1. Max Planck Institute for Chemical Physics of Solids, Noethnitzer Strasse 40, D-01187 Dresden (Germany)
Publication Date:
OSTI Identifier:
21372542
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 183; Journal Issue: 3; Other Information: DOI: 10.1016/j.jssc.2010.01.002; PII: S0022-4596(10)00003-4; 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; CERIUM COMPOUNDS; CHLORIDES; NEODYMIUM COMPOUNDS; ORTHORHOMBIC LATTICES; PRASEODYMIUM COMPOUNDS; PRESSURE RANGE GIGA PA; SODIUM COMPOUNDS; SULFUR COMPOUNDS; SYNTHESIS; TEMPERATURE RANGE 1000-4000 K; X-RAY DIFFRACTION ALKALI METAL COMPOUNDS; BORON COMPOUNDS; CHLORINE COMPOUNDS; COHERENT SCATTERING; CRYSTAL LATTICES; CRYSTAL STRUCTURE; DIFFRACTION; ELEMENTS; HALIDES; HALOGEN COMPOUNDS; OXYGEN COMPOUNDS; PRESSURE RANGE; RARE EARTH COMPOUNDS; SCATTERING; SEMIMETALS; TEMPERATURE RANGE