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Preparation and crystal structure of Li 6 Zr 2 O 7 and Li 6 Hf 2 O 7
Author(s) -
Czekalla Ralf,
Jeitschko Wolfgang
Publication year - 1993
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.19936191212
Subject(s) - monoclinic crystal system , crystallography , octahedron , crystal structure , oxygen atom , oxygen , ion , metal , chemistry , chlorine , square pyramidal molecular geometry , sodium , argon , materials science , molecule , organic chemistry
Abstract Li 6 Zr 2 O 7 was obtained by annealing an intimate mixture of LiOH · H 2 O and freshly prepared ZrO 2 in a stream of argon. It is monoclinic: C2/c, a = 1 044.5(1), b = 598.9(1), c = 1 020.0(1) pm, β = 100.26(1)°, Z = 4, R = 0.016 for 1 218 F values and 55 variables. The structure is closely related to that of NaCl with an ordered distribution of the metal atoms on the sodium sites while the oxygen atoms occupy seven eighths of the chlorine positions. Li has square pyramidal, Zr octahedral oxygen coordination. The corresponding Hf compound is isotypic: a = 1 040.2(1), b = 596,2(1), c = 1 015.0(1) pm, β = 100.36(1)°. 7 Li nuclear magnetic resonance spectra of this compound give no indication for a high mobility of the Li + ions.