Abstract
The title compound, tricalcium oxynitride silicate, with composition Ca3-xSi2N2-2xO4+2x (x ≃ 0.12), is a perovskite-related calcium oxynitrido silicate containing isolated oxynitrido silicate 12-rings. The N atoms are statistically disordered with O atoms (occupancy ratio N:O = 0.88:0.12) and occupy the bridging positions in the 12 ring oxynitrido silicate anion, while the remaining O atoms are located at the terminal positions of the Si(O,N)4 tetrahedra. The majority of the Ca2+ cations fill the channels along [100] in the packing of the 12-ring anions. The rest of these cations are located at several positions, with partial occupancy, in channels along the body diagonals.
Highlights
The title compound, tricalcium oxynitride silicate, with composition Ca3-xSi2N2-2xO4+2x (x ’ 0.12), is a perovskiterelated calcium oxynitrido silicate containing isolated oxynitrido silicate 12-rings
The N atoms are statistically disordered with O atoms and occupy the bridging positions in the 12 ring oxynitrido silicate anion, while the remaining O atoms are located at the terminal positions of the Si(O,N)4 tetrahedra
Cations fill the channels along [100] in the packing of the 12ring anions. The rest of these cations are located at several positions, with partial occupancy, in channels along the body diagonals
Summary
The N atoms are statistically disordered with O atoms (occupancy ratio N:O = 0.88:0.12) and occupy the bridging positions in the 12 ring oxynitrido silicate anion, while the remaining O atoms are located at the terminal positions of the Si(O,N) tetrahedra. Cations fill the channels along [100] in the packing of the 12ring anions. The rest of these cations are located at several positions, with partial occupancy, in channels along the body diagonals. For a closely related silicate, as well as a germanate, see: Fischer & Tillmanns (1984) and for a more distantly related calcium aluminate, see: Mondal & Jeffery (1975)
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