High-pressure synthesis and crystal structure of B2S3

Takeshi Sasaki, Hirotsugu Takizawa, Kyota Uheda, Takahiro Yamashita, Tadashi Endo

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17 Citations (Scopus)


Two new high-pressure phases of binary boron-sulfur compounds, B2S3-II and B2S3-III, were synthesized at 3-6.2 GPa. A single crystal of B2S3-III was grown and the structure was determined (tetragonal, space group I41/a, a = 16.086(2) Å, c = 30.488(4) Å; V = 7888(1) Å3, Z = 100, R = 3.0% and Rw = 2.8% for 3047 observed data [I > 3.00σ(I)]. The structure of B2S3-III consists of two kinds of macrotetrahedra built up from 20 and 34 BS4-tetrahedra. These macrotetrahedra connect each other to form an interpenetrating zincblende-type structure by sharing BS4-tetrahedra at the corners of those. B2S3-III is anticipated having a rather disordered structure. From the UV-Vis diffuse reflectance spectrum, the optical band gap of B2S3-III was estimated to be 3.7 eV.

Original languageEnglish
Pages (from-to)164-170
Number of pages7
JournalJournal of Solid State Chemistry
Issue number1
Publication statusPublished - 2002


  • Boron sulfide
  • Crystal structure
  • High pressure
  • Macrotetrahedron


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