Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce4[Si4O(3 + x)N(7 - x)]Cl(1 - x)O(x), x approximately = 0.2.
The structural compression mechanism of Ce4[Si4O(3 + x)N(7 - x)]Cl(1 - x)O(x), x approximately = 0.2, was investigated by in situ single-crystal synchrotron X-ray diffraction at pressures of 3.0, 8.5 and 8.6 GPa using the diamond-anvil cell technique. On increasing pressure the low-pressure cubic structure first undergoes only minor structural changes. Between 8.5 and 8.6 GPa a first-order phase transition occurs, accompanied by a change of the single-crystal colour from light orange to dark red. The main structural mechanisms, leading to a volume reduction of about 5% at the phase transition, are an increase in and a rearrangement of the Ce coordination, the loss of the Ce2, Ce3 split position, and a bending of some of the inter-polyhedral Si-N-Si angles in the arrangement of the corner-sharing Si tetrahedra. The latter is responsible for the short c axis of the orthorhombic high-pressure structure compared with the cell parameter of the cubic low-pressure structure.
Institut für Geowissenschaften, Abt. Kristallographie, Johann Wolfgang Goethe-Universität Frankfurt, Senckenberganlage 30, D-60054 Frankfurt a. M., Germany. friedrich@kristall.uni-frankfurt.de
Alexandra
A
Friedrich
Eiken
E
Haussühl
Wolfgang
W
Morgenroth
Alexandra
A
Lieb
Björn
B
Winkler
Karsten
K
Knorr
Wolfgang
W
Schnick