The synthesis of novel lanthanum hydroxyborate at extreme conditions
The novel structure of lanthanum hydroxyborate La(2)B(2)O(5)(OH)(2) was synthesized by the reaction of partially hydrolyzed lanthanum and boron oxide in a diamond anvil cell under high-pressure/high-temperature (HPHT) conditions of 30 GPa and ∼2,400 K. The single-crystal X-ray structure determinatio...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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Frontiers Media S.A.
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10568730/ https://www.ncbi.nlm.nih.gov/pubmed/37841208 http://dx.doi.org/10.3389/fchem.2023.1259000 |
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author | Ibragimova, Olga Vaquero, Lia Hussein, Zain Drozd, Vadym Chariton, Stella Prakapenka, Vitali Chuvashova, Irina |
author_facet | Ibragimova, Olga Vaquero, Lia Hussein, Zain Drozd, Vadym Chariton, Stella Prakapenka, Vitali Chuvashova, Irina |
author_sort | Ibragimova, Olga |
collection | PubMed |
description | The novel structure of lanthanum hydroxyborate La(2)B(2)O(5)(OH)(2) was synthesized by the reaction of partially hydrolyzed lanthanum and boron oxide in a diamond anvil cell under high-pressure/high-temperature (HPHT) conditions of 30 GPa and ∼2,400 K. The single-crystal X-ray structure determination of the lanthanum hydroxyborate revealed: [Formula: see text] , a = 6.555(2) Å, c = 17.485(8) Å, Z = 6, R(1) = 0.056. The three-dimensional structure consists of discrete planar BO(3) groups and three crystallographically different La ions: one is surrounded by 9, one by 10, and one by 12 oxygen anions. The band gap was estimated using ab initio calculations to be 4.64 eV at ambient pressure and 5.26 eV at 30 GPa. The current work describes the novel HPHT lanthanum hydroxyborate with potential application as a deep-ultraviolet birefringent material. |
format | Online Article Text |
id | pubmed-10568730 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | Frontiers Media S.A. |
record_format | MEDLINE/PubMed |
spelling | pubmed-105687302023-10-13 The synthesis of novel lanthanum hydroxyborate at extreme conditions Ibragimova, Olga Vaquero, Lia Hussein, Zain Drozd, Vadym Chariton, Stella Prakapenka, Vitali Chuvashova, Irina Front Chem Chemistry The novel structure of lanthanum hydroxyborate La(2)B(2)O(5)(OH)(2) was synthesized by the reaction of partially hydrolyzed lanthanum and boron oxide in a diamond anvil cell under high-pressure/high-temperature (HPHT) conditions of 30 GPa and ∼2,400 K. The single-crystal X-ray structure determination of the lanthanum hydroxyborate revealed: [Formula: see text] , a = 6.555(2) Å, c = 17.485(8) Å, Z = 6, R(1) = 0.056. The three-dimensional structure consists of discrete planar BO(3) groups and three crystallographically different La ions: one is surrounded by 9, one by 10, and one by 12 oxygen anions. The band gap was estimated using ab initio calculations to be 4.64 eV at ambient pressure and 5.26 eV at 30 GPa. The current work describes the novel HPHT lanthanum hydroxyborate with potential application as a deep-ultraviolet birefringent material. Frontiers Media S.A. 2023-09-28 /pmc/articles/PMC10568730/ /pubmed/37841208 http://dx.doi.org/10.3389/fchem.2023.1259000 Text en Copyright © 2023 Ibragimova, Vaquero, Hussein, Drozd, Chariton, Prakapenka and Chuvashova. https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms. |
spellingShingle | Chemistry Ibragimova, Olga Vaquero, Lia Hussein, Zain Drozd, Vadym Chariton, Stella Prakapenka, Vitali Chuvashova, Irina The synthesis of novel lanthanum hydroxyborate at extreme conditions |
title | The synthesis of novel lanthanum hydroxyborate at extreme conditions |
title_full | The synthesis of novel lanthanum hydroxyborate at extreme conditions |
title_fullStr | The synthesis of novel lanthanum hydroxyborate at extreme conditions |
title_full_unstemmed | The synthesis of novel lanthanum hydroxyborate at extreme conditions |
title_short | The synthesis of novel lanthanum hydroxyborate at extreme conditions |
title_sort | synthesis of novel lanthanum hydroxyborate at extreme conditions |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10568730/ https://www.ncbi.nlm.nih.gov/pubmed/37841208 http://dx.doi.org/10.3389/fchem.2023.1259000 |
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