Flux synthesis and characterization of two barium hydroxyborosilicates with triple and single tetrahedral layers: Ba2[Si3B3O12(OH)] and Ba[Si2BO6(OH)]

Ling Wei Chang; Hsin Kuan Liu; Kwang Hwa Lii

doi:10.1016/j.jssc.2020.121331

Flux synthesis and characterization of two barium hydroxyborosilicates with triple and single tetrahedral layers: Ba₂[Si₃B₃O₁₂(OH)] and Ba[Si₂BO₆(OH)]

Ling Wei Chang, Hsin Kuan Liu, Kwang Hwa Lii

Department of Chemistry

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

3 Scopus citations

Abstract

Two new barium hydroxyborosilicates, Ba₂[Si₃B₃O₁₂(OH)] (1) and Ba[Si₂BO₆(OH)] (2), have been synthesized by a flux method at 480 °C and characterized by single-crystal X-ray diffraction and infrared spectroscopy. Both compounds have 2D layer structures. Compound 1 contains planar slabs of borosilicate formed of tetrahedral building units which can be described as condensation of three 3-connected 2D single layers with a 6³ network topology. The Ba²⁺ cations are located in both the interlayer and intralayer regions. The structure is unusual with respect to the triple tetrahedral layers. Compound 2 consists of very contorted (3,4)-connected single layers with the rare (4².6²)(4.6²)₂ topology. The single layer is composed of both tertiary and quaternary tetrahedra. The synthesis method is new. A mixture of Ba(OH)₂·8H₂O, H₃BO₃ and SiO₂ was sealed in a gold ampoule, heated at high temperature in a pressure vessel, and the flux is a small amount of concentrated aqueous hydroxide solution. Crystal data for compound 1: monoclinic, P2₁/n, a = 4.7112(2) Å, b = 29.9482(14) Å, c = 7.3773(4) Å, β = 92.593(2)°, V = 1039.81(9) Å³, Z = 4, and R1 = 0.0246; compound 2: monoclinic, P2₁/c, a = 7.4206(2) Å, b = 8.9405(2) Å, c = 8.5677(2) Å, β = 90.208(1)°, V = 568.41(2) Å³, Z = 4, and R1 = 0.0467.

Original language	English
Article number	121331
Journal	Journal of Solid State Chemistry
Volume	287
DOIs	https://doi.org/10.1016/j.jssc.2020.121331
State	Published - Jul 2020

Keywords

Borosilicate
Crystal structure
Flux synthesis

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10.1016/j.jssc.2020.121331

CCDC 2000531: Experimental Crystal Structure Determination
Chang, L.-W. (Contributor), Liu, H.-K. (Contributor) & Lii, K.-H. (Contributor), The Cambridge Structural Database, 2020
DOI: 10.5517/ccdc.csd.cc254q8b, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc254q8b&sid=DataCite
Dataset
CCDC 2000532: Experimental Crystal Structure Determination
Chang, L.-W. (Contributor), Liu, H.-K. (Contributor) & Lii, K.-H. (Contributor), The Cambridge Structural Database, 2020
DOI: 10.5517/ccdc.csd.cc254q9c, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc254q9c&sid=DataCite
Dataset

Cite this

@article{ba0ed5bd9f8849da9fb544f447c324fd,

title = "Flux synthesis and characterization of two barium hydroxyborosilicates with triple and single tetrahedral layers: Ba2[Si3B3O12(OH)] and Ba[Si2BO6(OH)]",

abstract = "Two new barium hydroxyborosilicates, Ba2[Si3B3O12(OH)] (1) and Ba[Si2BO6(OH)] (2), have been synthesized by a flux method at 480 °C and characterized by single-crystal X-ray diffraction and infrared spectroscopy. Both compounds have 2D layer structures. Compound 1 contains planar slabs of borosilicate formed of tetrahedral building units which can be described as condensation of three 3-connected 2D single layers with a 63 network topology. The Ba2+ cations are located in both the interlayer and intralayer regions. The structure is unusual with respect to the triple tetrahedral layers. Compound 2 consists of very contorted (3,4)-connected single layers with the rare (42.62)(4.62)2 topology. The single layer is composed of both tertiary and quaternary tetrahedra. The synthesis method is new. A mixture of Ba(OH)2·8H2O, H3BO3 and SiO2 was sealed in a gold ampoule, heated at high temperature in a pressure vessel, and the flux is a small amount of concentrated aqueous hydroxide solution. Crystal data for compound 1: monoclinic, P21/n, a = 4.7112(2) {\AA}, b = 29.9482(14) {\AA}, c = 7.3773(4) {\AA}, β = 92.593(2)°, V = 1039.81(9) {\AA}3, Z = 4, and R1 = 0.0246; compound 2: monoclinic, P21/c, a = 7.4206(2) {\AA}, b = 8.9405(2) {\AA}, c = 8.5677(2) {\AA}, β = 90.208(1)°, V = 568.41(2) {\AA}3, Z = 4, and R1 = 0.0467.",

keywords = "Borosilicate, Crystal structure, Flux synthesis",

author = "Chang, {Ling Wei} and Liu, {Hsin Kuan} and Lii, {Kwang Hwa}",

note = "Publisher Copyright: {\textcopyright} 2020 Elsevier Inc.",

year = "2020",

month = jul,

doi = "10.1016/j.jssc.2020.121331",

language = "???core.languages.en_GB???",

volume = "287",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

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TY - JOUR

T1 - Flux synthesis and characterization of two barium hydroxyborosilicates with triple and single tetrahedral layers

T2 - Ba2[Si3B3O12(OH)] and Ba[Si2BO6(OH)]

AU - Chang, Ling Wei

AU - Liu, Hsin Kuan

AU - Lii, Kwang Hwa

PY - 2020/7

Y1 - 2020/7

N2 - Two new barium hydroxyborosilicates, Ba2[Si3B3O12(OH)] (1) and Ba[Si2BO6(OH)] (2), have been synthesized by a flux method at 480 °C and characterized by single-crystal X-ray diffraction and infrared spectroscopy. Both compounds have 2D layer structures. Compound 1 contains planar slabs of borosilicate formed of tetrahedral building units which can be described as condensation of three 3-connected 2D single layers with a 63 network topology. The Ba2+ cations are located in both the interlayer and intralayer regions. The structure is unusual with respect to the triple tetrahedral layers. Compound 2 consists of very contorted (3,4)-connected single layers with the rare (42.62)(4.62)2 topology. The single layer is composed of both tertiary and quaternary tetrahedra. The synthesis method is new. A mixture of Ba(OH)2·8H2O, H3BO3 and SiO2 was sealed in a gold ampoule, heated at high temperature in a pressure vessel, and the flux is a small amount of concentrated aqueous hydroxide solution. Crystal data for compound 1: monoclinic, P21/n, a = 4.7112(2) Å, b = 29.9482(14) Å, c = 7.3773(4) Å, β = 92.593(2)°, V = 1039.81(9) Å3, Z = 4, and R1 = 0.0246; compound 2: monoclinic, P21/c, a = 7.4206(2) Å, b = 8.9405(2) Å, c = 8.5677(2) Å, β = 90.208(1)°, V = 568.41(2) Å3, Z = 4, and R1 = 0.0467.

AB - Two new barium hydroxyborosilicates, Ba2[Si3B3O12(OH)] (1) and Ba[Si2BO6(OH)] (2), have been synthesized by a flux method at 480 °C and characterized by single-crystal X-ray diffraction and infrared spectroscopy. Both compounds have 2D layer structures. Compound 1 contains planar slabs of borosilicate formed of tetrahedral building units which can be described as condensation of three 3-connected 2D single layers with a 63 network topology. The Ba2+ cations are located in both the interlayer and intralayer regions. The structure is unusual with respect to the triple tetrahedral layers. Compound 2 consists of very contorted (3,4)-connected single layers with the rare (42.62)(4.62)2 topology. The single layer is composed of both tertiary and quaternary tetrahedra. The synthesis method is new. A mixture of Ba(OH)2·8H2O, H3BO3 and SiO2 was sealed in a gold ampoule, heated at high temperature in a pressure vessel, and the flux is a small amount of concentrated aqueous hydroxide solution. Crystal data for compound 1: monoclinic, P21/n, a = 4.7112(2) Å, b = 29.9482(14) Å, c = 7.3773(4) Å, β = 92.593(2)°, V = 1039.81(9) Å3, Z = 4, and R1 = 0.0246; compound 2: monoclinic, P21/c, a = 7.4206(2) Å, b = 8.9405(2) Å, c = 8.5677(2) Å, β = 90.208(1)°, V = 568.41(2) Å3, Z = 4, and R1 = 0.0467.

KW - Borosilicate

KW - Crystal structure

KW - Flux synthesis

UR - http://www.scopus.com/inward/record.url?scp=85082675593&partnerID=8YFLogxK

U2 - 10.1016/j.jssc.2020.121331

DO - 10.1016/j.jssc.2020.121331

M3 - 期刊論文

AN - SCOPUS:85082675593

SN - 0022-4596

VL - 287

JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

M1 - 121331

ER -

Flux synthesis and characterization of two barium hydroxyborosilicates with triple and single tetrahedral layers: Ba2[Si3B3O12(OH)] and Ba[Si2BO6(OH)]

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CCDC 2000531: Experimental Crystal Structure Determination

CCDC 2000532: Experimental Crystal Structure Determination

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Flux synthesis and characterization of two barium hydroxyborosilicates with triple and single tetrahedral layers: Ba₂[Si₃B₃O₁₂(OH)] and Ba[Si₂BO₆(OH)]