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Ca 3 [BN 2 ]I 3 : The First Halide‐Rich Alkaline Earth Nitridoborate with Isolated [BN 2 ] 3– Units
Author(s) -
Ezgi Toros Turna,
Yahyaoglu Müjde,
Aydemir Umut,
Drathen Christina,
Akselrud Lev,
Prots Yurii,
Höhn Peter,
Somer Mehmet
Publication year - 2015
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.201500285
Subject(s) - crystallography , halide , alkaline earth metal , trigonal crystal system , boron , crystal structure , space group , chemistry , x ray crystallography , materials science , analytical chemistry (journal) , alkali metal , diffraction , inorganic chemistry , physics , organic chemistry , optics , chromatography
Abstract The title compound Ca 3 [BN 2 ]I 3 was obtained from reactions of mixtures of the starting materials Ca 3 [BN 2 ] 2 and CaI 2 in a 1:4 ratio in sealed Nb tubes at 1223 K. The crystal structure was solved from powder synchrotron diffraction data. Ca 3 [BN 2 ]I 3 is the first example of a halide‐rich nitridoborate crystallizing in the rhombohedral space group R 32 [no. 155, Pearson code: hR 96; Z = 12; a = 16.70491(2) Å, c = 12.41024(2) Å]. The crystal structure is built up by two interpenetrating networks of condensed edge‐sharing [BN 2 ]@Ca 6 and [□]@I 6 trigonal antiprisms (□ = void). In Ca 3 [BN 2 ]I 3 two crystallograhically distinct [BN 2 ] 3– anions are present with d (B1–N) = 1.393(2) Å and d (B2–N) = 1.369(9) Å. Their bond angles are practically linear, varying only slightly: N–B1–N = 179(1)° and N–B2–N = 180°. Vibrational spectra were interpreted based on the D ∞ h symmetry of the discrete linear [N–B–N] 3– moieties, considering the site symmetry reduction and the presence of two distinct [BN 2 ] 3– groups.