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On the Crystal Structure of Tribarium Gallate (Ba 3 Ga 2 O 6 )
Author(s) -
Kahlenberger V.
Publication year - 2001
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/1521-4079(200103)36:3<319::aid-crat319>3.0.co;2-5
Subject(s) - crystallography , gallate , coordination number , group (periodic table) , chemistry , crystal structure , alkaline earth metal , ion , tetrahedron , stereochemistry , alkali metal , nuclear chemistry , organic chemistry
Single crystals of tribarium gallate (Ba 3 Ga 2 O 6 ) have been synthesized from a melt with composition 70 mol.% BaO and 30 mol.% Ga 2 O 3 in the temperature range between 1200 °C and 1400 °C. The compound adopts space group Pa $\bar 3$ with a = 16.746(9) Å and Z = 24 formula units per unit cell. The refinement of the atomic parameters resulted in a residual of R1 = 0.040 (wR2 = 0.102) for 1157 observed reflections (I>2 σ (I)). Ba 3 Ga 2 O 6 belongs to the group of cyclo‐gallates and is closely related to K 4 SrGe 3 O 9 . Main building element are isolated, highly puckered, twelve‐membered rings build by [GaO 4 ]‐tetrahedra. Charge balance is achieved by incorporation of Ba ions in the voids between the rings. The coordination number of the alkaline earth atoms is six, eight and nine, respectively.