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

Center for Exploration of New Inorganic Materials

Research output: Contribution to journal › Article

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

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Takayuki, H., Yamane, H., Becker, N., & Dronskowski, R. (2015). Synthesis and crystal structure of Ba₂₆B₁₂Si₅N₂₇ containing [Si₂] dumbbells. Journal of Solid State Chemistry, 230, 390-396. [18995]. https://doi.org/10.1016/j.jssc.2015.07.022

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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",

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",

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T1 - Synthesis and crystal structure of Ba26B12Si5N27 containing [Si2] dumbbells

AU - Takayuki, Hashimoto

AU - Yamane, Hisanori

AU - Becker, Nils

AU - Dronskowski, Richard

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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