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Ce 4 [Si 4 O 4 N 6 ]O‐A Hyperbolically Layered Oxonitridosilicate Oxide with an Ordered Distribution of Oxygen and Nitrogen
Author(s) -
Irran Elisabeth,
Köllisch Klaus,
Leoni Stefano,
Nesper Reinhard,
Henry Paul F.,
Weller Mark T.,
Schnick Wolfgang
Publication year - 2000
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/1521-3765(20000804)6:15<2714::aid-chem2714>3.0.co;2-j
Subject(s) - crystallography , neutron diffraction , lattice energy , crystal structure , diffraction , oxide , materials science , single crystal , metal , chemistry , physics , optics , metallurgy
The yellow‐orange oxonitridosilicate oxide Ce 4 [Si 4 O 4 N 6 ]O was obtained by the reaction of cerium metal with Si(NH) 2 and SiO 2 in a radiofrequency furnace at 1560 °C. The crystal structure was determined by single‐crystal X‐ray diffraction ( a =1033.67(6) pm, P 2 1 3, Z =4, R 1=0.0412, wR 2=0.0678) and powder neutron diffraction. In the solid there are complex cations [Ce 4 O] 10+ that are enveloped by a hyperbolical layer structure [Si 4 O 4 N 6 ] 10− . The layer is built up by corner‐sharing SiON 3 tetrahedra of Q 3 type. The oxygen atoms of the SiON 3 tetrahedra are terminally bound to Si, while all nitrogen atoms bridge two neighboring Si centres. The crystallographic differentiation of O and N was unequivocally possible by a careful evaluation of the single‐crystal X‐ray diffraction data combined with lattice‐energy calculations by using the MAPLE concept (Madelung part of lattice energy). Furthermore the results were confirmed by the chemical analyses. Subsequently, the determined N/O distribution and their crystallographic ordering was proved by neutron powder diffraction. In accordance with the molar ratio Si:(O,N)=2:5 the [Si 4 O 4 N 6 ] 10− network may be classified as a layer silicate. In this specific case a hyperbolically corrugated topology of the layers is observed; this is correlated to periodic nodal surface (PNS) representatives.