Synthesis and crystal structure of Ba26B12Si5N27 containing [Si2] dumbbells

Hashimoto Takayuki; Hisanori Yamane; Nils Becker; Richard Dronskowski

doi:10.1016/j.jssc.2015.07.022

Synthesis and crystal structure of Ba₂₆B₁₂Si₅N₂₇ containing [Si₂] dumbbells

Hashimoto Takayuki, Hisanori Yamane, Nils Becker, Richard Dronskowski

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Abstract

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 N^3- are included in the structure. The structural formula is represented as (Ba²⁺)₂₆{[BN₂]^3-}₁₂[{[Si₂]^2.8-}_1.25(N^3-)_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.

Original language	English
Article number	18995
Pages (from-to)	390-396
Number of pages	7
Journal	Journal of Solid State Chemistry
Volume	230
DOIs	https://doi.org/10.1016/j.jssc.2015.07.022
Publication status	Published - 2015 Oct 1

Keywords

Nitridoborate anionic groups
Si multibonding
Single crystal
X-ray diffraction
Zintl polyanions

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

Access to Document

10.1016/j.jssc.2015.07.022

Cite this

@article{19efa4793f6d411eba8d47f9830b2fef,

title = "Synthesis and crystal structure of Ba26B12Si5N27 containing [Si2] dumbbells",

abstract = "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) {\AA}, b=34.1437(6) {\AA}, c=10.0410(2) {\AA}; 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) {\AA} has a bond order of 2.6, which is close to the triple bond of Si.",

keywords = "Nitridoborate anionic groups, Si multibonding, Single crystal, X-ray diffraction, Zintl polyanions",

author = "Hashimoto Takayuki and Hisanori Yamane and Nils Becker and Richard Dronskowski",

note = "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: {\textcopyright} 2015 Elsevier Inc.",

year = "2015",

month = oct,

day = "1",

doi = "10.1016/j.jssc.2015.07.022",

language = "English",

volume = "230",

pages = "390--396",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

publisher = "Academic Press Inc.",

}

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

UR - http://www.scopus.com/inward/record.url?scp=84939521596&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84939521596&partnerID=8YFLogxK

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 -