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Ba 11 In 6 O 3 : Ein Indid‐Oxid mit neuartigen [In 6 ]‐Baugruppen
Author(s) -
Wendorff Marco,
Röhr Caroline
Publication year - 2006
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.200500530
Subject(s) - crystallography , octahedron , barium , diffractometer , tetragonal crystal system , oxide , materials science , crystal structure , group (periodic table) , ion , bismuth , inorganic chemistry , chemistry , organic chemistry , metallurgy
Ba 11 In 6 O 3 : An Indide Oxide with Novel [In 6 ] Building Units The indide oxide Ba 11 In 6 O 3 was synthesized from stoichiometric amounts of the elements starting from barium and indium in combination with barium oxide or barium peroxide respectively at a maximum temperature of 850 °C. Its crystal structure was solved and refined from single crystal diffractometer data. The title compound crystallizes with a new structure type (tetragonal, space group I4/mcm , a = 1555.8(3), c = 1121.6(2) pm, Z = 4, R 1 = 0.0265) and exhibits planar [In 6 ] anions besides oxide ions coordinated by Ba cations in an octahedral arrangement. The [OBa 6 ] octahedra are connected via corners to form a three‐dimensional network closely related to the one in the antiperowskites like Ba 3 SnO. The group‐subgroup relation connecting the two metal rich oxides is presented. The indide anion [In 6 ] 16− is similar in shape to tetrafluorethene with a central short In‐In bond (288.4 pm) and four longer In‐In contacts towards the terminal In atoms. The formal electron deficiency and the shape of the anion are discussed on the basis of the calculated electronic structure (using FP‐LAPW bandstructure methods) and compared to the bonding situation in other binary alkaline earth indides and indide nitrides.