Hydrothermal synthesis, crystal and electronic structure of a new hydrated borate CsKB4O5(OH)4·2H2O

Sangaraju Sambasivam; Pardha Saradhi Maram; Chandu V.V.Muralee Gopi; Ihab M. Obaidat

doi:10.1166/mex.2020.1669

Hydrothermal synthesis, crystal and electronic structure of a new hydrated borate CsKB₄O₅(OH)₄·2H₂O

Sangaraju Sambasivam
, Pardha Saradhi Maram
, Chandu V.V.Muralee Gopi
, Ihab M. Obaidat

Department of Physics

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

3 Citations (Scopus)

Abstract

Hydrothermal method successfully produced a new cesium-metal borate (CsKB₄O5(OH)₄·2H₂O). The crystals are grown in the P2₁/c space group with a monoclinic lattice, a = 10.7298 (13) Å, b = 8.1521 (11) Å, c = 13.2690 (15) Å, _ = 108.325 (9)°, and Z = 4. The structure is composed of [B₄O5(OH)₄]2− groups connected to 8-coordinated potassium, 12- oordinated cesium ions, and water molecules forming the final 3D framework. FTIR and Raman spectra identified the type and nature of the borate groups within the structure. UV-Vis- NIR diffuse reflection spectra have studied the transmission property, whereas TG-DSC analyses revealed the thermal stability of the crystals. In addition, theoretical calculations have been executed to understand the density of states and band structure.

Original language	English
Pages (from-to)	543-550
Number of pages	8
Journal	Materials Express
Volume	10
Issue number	4
DOIs	https://doi.org/10.1166/mex.2020.1669
Publication status	Published - Apr 2020

Keywords

Electronic Structure
Hydrothermal
Metal Borate
Single Crystal

ASJC Scopus subject areas

General Materials Science

Access to Document

10.1166/mex.2020.1669

Cite this

@article{24ac09a3540c4b5ebc8f808d57f64125,

title = "Hydrothermal synthesis, crystal and electronic structure of a new hydrated borate CsKB4O5(OH)4·2H2O",

abstract = "Hydrothermal method successfully produced a new cesium-metal borate (CsKB4O5(OH)4·2H2O). The crystals are grown in the P21/c space group with a monoclinic lattice, a = 10.7298 (13) {\AA}, b = 8.1521 (11) {\AA}, c = 13.2690 (15) {\AA}, \_ = 108.325 (9)°, and Z = 4. The structure is composed of [B4O5(OH)4]2− groups connected to 8-coordinated potassium, 12- oordinated cesium ions, and water molecules forming the final 3D framework. FTIR and Raman spectra identified the type and nature of the borate groups within the structure. UV-Vis- NIR diffuse reflection spectra have studied the transmission property, whereas TG-DSC analyses revealed the thermal stability of the crystals. In addition, theoretical calculations have been executed to understand the density of states and band structure.",

keywords = "Electronic Structure, Hydrothermal, Metal Borate, Single Crystal",

author = "Sangaraju Sambasivam and Maram, \{Pardha Saradhi\} and Gopi, \{Chandu V.V.Muralee\} and Obaidat, \{Ihab M.\}",

year = "2020",

month = apr,

doi = "10.1166/mex.2020.1669",

language = "English",

volume = "10",

pages = "543--550",

journal = "Materials Express",

issn = "2158-5849",

publisher = "American Scientific Publishers",

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T1 - Hydrothermal synthesis, crystal and electronic structure of a new hydrated borate CsKB4O5(OH)4·2H2O

AU - Sambasivam, Sangaraju

AU - Maram, Pardha Saradhi

AU - Gopi, Chandu V.V.Muralee

AU - Obaidat, Ihab M.

PY - 2020/4

Y1 - 2020/4

N2 - Hydrothermal method successfully produced a new cesium-metal borate (CsKB4O5(OH)4·2H2O). The crystals are grown in the P21/c space group with a monoclinic lattice, a = 10.7298 (13) Å, b = 8.1521 (11) Å, c = 13.2690 (15) Å, _ = 108.325 (9)°, and Z = 4. The structure is composed of [B4O5(OH)4]2− groups connected to 8-coordinated potassium, 12- oordinated cesium ions, and water molecules forming the final 3D framework. FTIR and Raman spectra identified the type and nature of the borate groups within the structure. UV-Vis- NIR diffuse reflection spectra have studied the transmission property, whereas TG-DSC analyses revealed the thermal stability of the crystals. In addition, theoretical calculations have been executed to understand the density of states and band structure.

AB - Hydrothermal method successfully produced a new cesium-metal borate (CsKB4O5(OH)4·2H2O). The crystals are grown in the P21/c space group with a monoclinic lattice, a = 10.7298 (13) Å, b = 8.1521 (11) Å, c = 13.2690 (15) Å, _ = 108.325 (9)°, and Z = 4. The structure is composed of [B4O5(OH)4]2− groups connected to 8-coordinated potassium, 12- oordinated cesium ions, and water molecules forming the final 3D framework. FTIR and Raman spectra identified the type and nature of the borate groups within the structure. UV-Vis- NIR diffuse reflection spectra have studied the transmission property, whereas TG-DSC analyses revealed the thermal stability of the crystals. In addition, theoretical calculations have been executed to understand the density of states and band structure.

KW - Electronic Structure

KW - Hydrothermal

KW - Metal Borate

KW - Single Crystal

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DO - 10.1166/mex.2020.1669

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