Sr5[BO2(OH)]3(OH)3F: First hydroxyborate fluoride with the [BO2(OH)]2− unit

•A new hydroxyl strontium borate, Sr5[BO2(OH)]3(OH)3F has been synthesized using the hydrothermal method for the first time.•The first principle calculations suggest that it has a moderate birefringence (0.067@1064 nm).•Sr5[BO2(OH)]3(OH)3F is the first hydroxyborate fluoride with the [BO2(OH)]2- fun...

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Bibliographic Details
Published in:Journal of molecular structure 2021-03, Vol.1227, p.128915, Article 128915
Main Authors: Dong, Yingxuan, Gao, Le, Su, Zhi
Format: Article
Language:English
Subjects:
Birefringence
Fundamental building block
Hydroxyl strontium borate
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Summary:•A new hydroxyl strontium borate, Sr5[BO2(OH)]3(OH)3F has been synthesized using the hydrothermal method for the first time.•The first principle calculations suggest that it has a moderate birefringence (0.067@1064 nm).•Sr5[BO2(OH)]3(OH)3F is the first hydroxyborate fluoride with the [BO2(OH)]2- fundamental building block. A new hydroxyl strontium borate, Sr5[BO2(OH)]3(OH)3F has been synthesized using the hydrothermal method for the first time. It crystallizes in the monoclinic space group P21/m with unit cell parameters a = 5.596(2) Å, b = 14.405(5) Å, c = 7.591(3) Å, β = 101.452(4)°, and Z = 2. The fundamental building block of the structure is a [BO2(OH)]2− unit. Through the investigation with other hydroxyl strontium borates, Sr5[BO2(OH)]3(OH)3F is the first hydroxyborate fluoride with the [BO2(OH)]2− fundamental building block.
ISSN:0022-2860
1872-8014
DOI:10.1016/j.molstruc.2020.128915