TY - JOUR
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.
N1 - Funding Information:
This work was partially supported by a 2-Year Research Grant of Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Science, Urumqi, China, and UAEU Program for Advanced Research (UPAR) under Grant No. 31S312.
Funding Information:
Acknowledgments: This work was partially supported by a 2-Year Research Grant of Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Science, Urumqi, China, and UAEU Program for Advanced Research (UPAR) under Grant No. 31S312.
Publisher Copyright:
© 2020 by American Scientific Publishers All rights reserved.
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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U2 - 10.1166/mex.2020.1669
DO - 10.1166/mex.2020.1669
M3 - Article
AN - SCOPUS:85081218283
SN - 2158-5849
VL - 10
SP - 543
EP - 550
JO - Materials Express
JF - Materials Express
IS - 4
ER -