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Synthesis, Crystal and Electronic Structure of the Nitridoaluminosilicate Ca 5 [Si 2 Al 2 N 8 ]
Author(s) -
Ottinger Frank,
CuervoReyes Eduardo,
Nesper Reinhard
Publication year - 2010
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201000046
Subject(s) - orthorhombic crystal system , octahedron , crystallography , silicate , materials science , ampoule , crystal structure , silicon , crystal (programming language) , aluminate , lithium (medication) , inorganic chemistry , chemistry , metallurgy , medicine , organic chemistry , cement , computer science , programming language , composite material , endocrinology
Abstract Ca 5 [Si 2 Al 2 N 8 ] was synthesized from elementary aluminum and silicon with phase‐pure tricalcium dinitride at 1280 K under dry argon in a sealed niobium ampoule. Ca 3 N 2 was freshly prepared from distilled calcium metal in a dry nitrogen atmosphere. The compound crystallizes in form of transparent yellow distorted octahedra. In air and under moisture Ca 5 [Si 2 Al 2 N 8 ] undergoes hydrolysis. The structure was determined from a single crystal to be orthorhombic (space group Pbcn – no. 60, a = 925.5, b = 614.0 and c = 1557.8 pm). The nitridoaluminate and ‐silicate substructures are separated into planes of edge and corner‐shared aluminate tetrahedra, which are linked by edge‐sharing double tetrahedral pillars of the silicate. The structure was confirmed by electrostatic and quantum mechanical analysis.