Synthesis, crystal structure, spectrum properties, and electronic structure of a new barium aluminoborate, Ba8[(Al6IV)(Al2IV)(Al2V)B12IIIO41]∞

Chen, Xuean; Chu, Zhipeng; Chang, Xinan; Zang, Hegui; Xiao, Weiqiang

doi:10.1016/j.jallcom.2011.08.047

Cited by 12 publications

(1 citation statement)

References 24 publications

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“…The well-known example is andalusite, Al 2 SiO 5 20 , which contains Al in octahedral and trigonal-bipyramidal coordinations. The AlO 5 trigonal bipyramids are also present in the crystal structures of different compounds, including PbCa 2 Al 8 O 15 21 , Ba 8 Al 10 B 12 O 41 22 , LiAl 7 B 4 O 17 23 , NaAl 2 (AlSi 3 )O 10 (OH) 2 24 , Tl 3 Al 2 P 3 O 12 25 , Al 6 Ti 2 O 13 26 , KAl 2 (PO 4 ) 2 (OH)· n H 2 O 27,28 , Al 2 (OH) 3 (VO 4 ) 29 , Al 4 B 2 O 9 30 , Al 5 BO 9 31 (note that the last two compounds contain Al in all three coordination).…”

Section: Introductionmentioning

confidence: 99%

High pressure phase transitions of paracelsian BaAl2Si2O8

Gorelova

Pakhomova

Krivovichev

et al. 2019

Sci Rep

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Three new polymorphs of aluminosilicate paracelsian, BaAl 2 Si 2 O 8 , have been discovered using synchrotron-based in situ high-pressure single crystal X-ray diffraction. The first isosymmetric phase transition (from paracelsian-I to paracelsian-II) occurs between 3 and 6 GPa. The phase transition is associated with the formation of pentacoordinated Al 3+ and Si 4+ ions, which occurs in a stepwise fashion by sequential formation of Al-O and Si-O bonds additional to those in AlO 4 and SiO 4 tetrahedra, respectively. The next phase transition occurs between 25 and 28 GPa and is accompanied by the symmetry change from monoclinic ( P 2 1 / c ) to orthorhombic ( Pna 2 1 ). The structure of paracelsian-III consists of SiO 6 octahedra, AlO 6 octahedra and distorted AlO 4 tetrahedra, i.e. the transition is reconstructive and associated with the changes of Si 4+ and Al 3+ coordination, which show rather complex behaviour with the general tendency towards increasing coordination numbers. The third phase transition is observed between 28 and 32 GPa and results in the symmetry decreasing from Pna 2 1 to Pn . The transition has a displacive character. In the course of the phase transformation pathway up to 32 GPa, the structure of polymorphs becomes denser: paracelsian-II is based upon elements of cubic and hexagonal close-packing arrangements of large O 2− and Ba 2+ ions, whereas, in the crystal structure of paracelsian-III and IV, this arrangement corresponds to 9-layer closest-packing with the layer sequence ABACACBCB .

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Section: Introductionmentioning

confidence: 99%

High pressure phase transitions of paracelsian BaAl2Si2O8

Gorelova

Pakhomova

Krivovichev

et al. 2019

Sci Rep

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RbMT₃(BO₃)₂O₃ (M=Ba, Sr; T=Al, Ga): New Double‐Layered Oxyborates Constructed from [BO₃] Triangles and [TO₄] Tetrahedra

Sun

Mutailipu

Pan

2021

Chemistry A European J

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Four new alumino‐/galloborates RbMT3(BO3)2O3 (M=Ba, Sr; T=Al, Ga) have been synthesized for the first time by using a high‐temperature solution method. All the title compounds have Sr2Be2B2O7‐like structures, in which the [BO3] triangles and [TO4] tetrahedra form the final double‐layered configurations with the M‐ and Rb‐site atoms located between and in the double layer, respectively. The structure evolution from Sr2Be2B2O7 to RbMT3(BO3)2O3 series is discussed. The broader energy bandgaps in Al‐based borates when compared with Ga‐based ones can be entirely attributed to the location of Al/Ga s orbitals near the Fermi surface. Both experimental and computational approaches were used to study their structure‐property relationships.

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ChemInform Abstract: Synthesis, Crystal Structure, Spectrum Properties, and Electronic Structure of a New Barium Aluminoborate, Ba₈ [(Al₆^IV)(Al₂^IV) (Al₂^V)B₁₂^IIIO₄₁] _∞.

et al. 2011

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Synthesis, Crystal Structure, Spectrum Properties, and Electronic Structure of a New Barium Aluminoborate, Ba8O41]∞. -The title compound is synthesized by solid state reaction of a 3:3:5 mixture of BaCO3, Al(OH)3, and H3BO3 in the presence of Bi2O3 as a fluxing agent (Au crucible, 770°C, 4 weeks). The compound is characterized by single crystal XRD, IR and optical diffuse reflectance spectroscopy, fluorescence spectroscopy, and DFT electronic structure calculations. Ba8[Al10B12O41] crystallizes in the triclinic space group P1 with Z = 1 and exhibits a layered structure consisting of H-shaped Al6 groups, AlO4 tetrahedra, and AlO5 trigonal bipyramids bridged by BO3 triangles. Ba 2+ cations are located in the interlayer spaces and intralayer channels. The compound is a direct band gap material with a band gap of about 3.10 eV and exhibits a broad emission band at around 430 nm. -(CHEN*, X.; CHU, Z.; CHANG, X.; ZANG, H.; XIAO, W.; J. Alloys Compd. 511 (2012) 1, 74-80, http://dx.

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Synthesis, crystal structure, spectrum properties, and electronic structure of a new barium aluminoborate, Ba8[(Al6IV)(Al2IV)(Al2V)B12IIIO41]∞

Cited by 12 publications

References 24 publications

High pressure phase transitions of paracelsian BaAl2Si2O8

High pressure phase transitions of paracelsian BaAl2Si2O8

RbMT₃(BO₃)₂O₃ (M=Ba, Sr; T=Al, Ga): New Double‐Layered Oxyborates Constructed from [BO₃] Triangles and [TO₄] Tetrahedra

ChemInform Abstract: Synthesis, Crystal Structure, Spectrum Properties, and Electronic Structure of a New Barium Aluminoborate, Ba₈ [(Al₆^IV)(Al₂^IV) (Al₂^V)B₁₂^IIIO₄₁] _∞.

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Synthesis, crystal structure, spectrum properties, and electronic structure of a new barium aluminoborate, Ba8[(Al6IV)(Al2IV)(Al2V)B12IIIO41]∞

Cited by 12 publications

References 24 publications

High pressure phase transitions of paracelsian BaAl2Si2O8

High pressure phase transitions of paracelsian BaAl2Si2O8

RbMT3(BO3)2O3 (M=Ba, Sr; T=Al, Ga): New Double‐Layered Oxyborates Constructed from [BO3] Triangles and [TO4] Tetrahedra

ChemInform Abstract: Synthesis, Crystal Structure, Spectrum Properties, and Electronic Structure of a New Barium Aluminoborate, Ba8 [(Al6IV)(Al2IV) (Al2V)B12IIIO41] ∞.

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Product

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RbMT₃(BO₃)₂O₃ (M=Ba, Sr; T=Al, Ga): New Double‐Layered Oxyborates Constructed from [BO₃] Triangles and [TO₄] Tetrahedra

ChemInform Abstract: Synthesis, Crystal Structure, Spectrum Properties, and Electronic Structure of a New Barium Aluminoborate, Ba₈ [(Al₆^IV)(Al₂^IV) (Al₂^V)B₁₂^IIIO₄₁] _∞.