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...

Descripción completa

Detalles Bibliográficos
Autores principales: Ibragimova, Olga, Vaquero, Lia, Hussein, Zain, Drozd, Vadym, Chariton, Stella, Prakapenka, Vitali, Chuvashova, Irina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2023
Materias:
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
_version_ 1785119413274411008
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
work_keys_str_mv AT ibragimovaolga thesynthesisofnovellanthanumhydroxyborateatextremeconditions
AT vaquerolia thesynthesisofnovellanthanumhydroxyborateatextremeconditions
AT husseinzain thesynthesisofnovellanthanumhydroxyborateatextremeconditions
AT drozdvadym thesynthesisofnovellanthanumhydroxyborateatextremeconditions
AT charitonstella thesynthesisofnovellanthanumhydroxyborateatextremeconditions
AT prakapenkavitali thesynthesisofnovellanthanumhydroxyborateatextremeconditions
AT chuvashovairina thesynthesisofnovellanthanumhydroxyborateatextremeconditions
AT ibragimovaolga synthesisofnovellanthanumhydroxyborateatextremeconditions
AT vaquerolia synthesisofnovellanthanumhydroxyborateatextremeconditions
AT husseinzain synthesisofnovellanthanumhydroxyborateatextremeconditions
AT drozdvadym synthesisofnovellanthanumhydroxyborateatextremeconditions
AT charitonstella synthesisofnovellanthanumhydroxyborateatextremeconditions
AT prakapenkavitali synthesisofnovellanthanumhydroxyborateatextremeconditions
AT chuvashovairina synthesisofnovellanthanumhydroxyborateatextremeconditions