Three new compounds in the
- Award ID(s):
- 1709813
- NSF-PAR ID:
- 10096455
- Date Published:
- Journal Name:
- Inorganic Chemistry
- ISSN:
- 0020-1669
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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AE ‐Si‐P (AE = Sr, Eu, Ba) systems are reported. Sr2SiP4and Eu2SiP4, the first members of their respective ternary systems, are isostructural to previously reported Ba2SiP4and crystallize in the noncentrosymmetricI 4 2d (no. 122) space group. Ba4Si3P8crystallizes in the new structure type, inP 21/c (no. 14) space group,mP ‐120 Pearson symbol, Wyckoff sequencee 30. In the crystal structures of Sr2SiP4and Eu2SiP4all SiP4tetrahedral building blocks are connected via formation of P–P bonds forming a three‐dimensional framework. In the crystal structure of Ba4Si3P8, Si‐P tetrahedral chains formed by corner‐sharing, edge‐sharing, and P–P bonds are surrounded by Ba cations. This results in a quasi‐one‐dimensional structure. Electronic structure calculations and UV/Vis measurements suggest that theAE 2SiP4(AE = Sr, Eu, Ba) are direct bandgap semiconductors with bandgaps of ca. 1.4 eV and have potential for thermoelectric applications. -
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