BaI3O9H: a new alkaline-earth metal hydroxy iodate with two groups

A new metal iodate, BaI3O9H, has been successfully synthesized by the hydrothermal method. It crystallizes in the monoclinic space group P21/c with the lattice parameters: a = 7.777(3) Å, b = 8.000(3) Å, c = 13.7905(5) Å, β = 92.803(4)°, Z = 4. The structure contains both isolated [IO3] group and [I...

Full description

Saved in:
Bibliographic Details
Published inNew journal of chemistry Vol. 46; no. 26; pp. 12482 - 12487
Main Authors Ma, Wenjuan, Huang, Jianlong, Dai, Bin, Yu, Feng
Format Journal Article
LanguageEnglish
Published Cambridge Royal Society of Chemistry 05.07.2022
Subjects
Alkaline earth metals
Birefringence
Crystal structure
First principles
Hydrothermal crystal growth
Hydroxyl groups
Lattice parameters
Molecular structure
Optical properties
Thermal stability
Online AccessGet full text

Cover

More Information
Summary:A new metal iodate, BaI3O9H, has been successfully synthesized by the hydrothermal method. It crystallizes in the monoclinic space group P21/c with the lattice parameters: a = 7.777(3) Å, b = 8.000(3) Å, c = 13.7905(5) Å, β = 92.803(4)°, Z = 4. The structure contains both isolated [IO3] group and [I2O6H] dimer, which is obtained by introducing hydroxyl groups into the iodate. We investigated the crystal structure, optical properties and thermal stability of the title compound, which indicates that BaI3O9H is a good candidate as a UV birefringence material. In addition, the relationship between structure and property is analyzed by first-principles calculations.
ISSN:1144-0546
1369-9261
DOI:10.1039/d2nj02226e