TY - JOUR
T1 - Synthesis and crystal structure of Ba26B12Si5N27 containing [Si2] dumbbells
AU - Takayuki, Hashimoto
AU - Yamane, Hisanori
AU - Becker, Nils
AU - Dronskowski, Richard
N1 - Funding Information:
We are grateful to Prof. Toru H. Okabe for providing La metal. We also would like to thank Takashi Kamaya for his help in EPMA measurement. This work was supported in part by a Grant-in Aid for Scientific Research (C) (No. 25420701 , 2014) from the Ministry of Education, Culture, Sports, Science, and Technology (MEXT), Japan . Computational resources were thankfully provided by the IT Center of RWTH Aachen University.
Publisher Copyright:
© 2015 Elsevier Inc.
PY - 2015/10/1
Y1 - 2015/10/1
N2 - Black, metallic luster, platelet single crystals of Ba26B12Si5N27 were grown on a BN crucible wall by slowly cooling from 900 °C to 27 °C. X-ray diffraction analysis revealed that Ba26B12Si5N27 crystallizes in an orthorhombic cell (a=17.6942(4) Å, b=34.1437(6) Å, c=10.0410(2) Å; space group Fdd2). Isolated nitridoborate anionic groups [BN2]3-, dumbbell-type Zintl polyanions [Si2]2.8-, and nitride anions N3- are included in the structure. The structural formula is represented as (Ba2+)26{[BN2]3-}12[{[Si2]2.8-}1.25(N3-)2×0.75]2. The [Si2]2.8- dumbbell with a Si-Si length of 2.177(5) Å has a bond order of 2.6, which is close to the triple bond of Si.
AB - Black, metallic luster, platelet single crystals of Ba26B12Si5N27 were grown on a BN crucible wall by slowly cooling from 900 °C to 27 °C. X-ray diffraction analysis revealed that Ba26B12Si5N27 crystallizes in an orthorhombic cell (a=17.6942(4) Å, b=34.1437(6) Å, c=10.0410(2) Å; space group Fdd2). Isolated nitridoborate anionic groups [BN2]3-, dumbbell-type Zintl polyanions [Si2]2.8-, and nitride anions N3- are included in the structure. The structural formula is represented as (Ba2+)26{[BN2]3-}12[{[Si2]2.8-}1.25(N3-)2×0.75]2. The [Si2]2.8- dumbbell with a Si-Si length of 2.177(5) Å has a bond order of 2.6, which is close to the triple bond of Si.
KW - Nitridoborate anionic groups
KW - Si multibonding
KW - Single crystal
KW - X-ray diffraction
KW - Zintl polyanions
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U2 - 10.1016/j.jssc.2015.07.022
DO - 10.1016/j.jssc.2015.07.022
M3 - Article
AN - SCOPUS:84939521596
VL - 230
SP - 390
EP - 396
JO - Journal of Solid State Chemistry
JF - Journal of Solid State Chemistry
SN - 0022-4596
M1 - 18995
ER -