Abstract
Ordering of the tetrahedral site vacancies in two crystals of refined compositions K0.93(1)Fe1.52(1)Se2 and K0.862(3)Fe1.563(4)Se2 produces a fivefold expansion of the parent ThCr2Si2 unit cell in the ab plane which can accommodate 20% vacancies on a single site within the square FeSe layer. The iron charge state is maintained close to +2 by coupling of the level of alkali metal and iron vacancies, producing a potential doping mechanism which can operate at both average and local structure levels.
Original language | English |
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Pages (from-to) | 1054-1058 |
Number of pages | 5 |
Journal | Chemical Science |
Volume | 2 |
Issue number | 6 |
DOIs | |
Publication status | Published - 2011 Jun |
ASJC Scopus subject areas
- Chemistry(all)