BeO6 Trigonal Prism with Ultralong Be-O Bonds Observed in a Deep Ultraviolet Optical Crystal Li13BeBe6B9O27

Yi Gang Chen; Meiling Xing; Yao Guo; Zheshuai Lin; Xiujun Fan; Xian Ming Zhang

doi:10.1021/acs.inorgchem.8b03435

BeO₆ Trigonal Prism with Ultralong Be-O Bonds Observed in a Deep Ultraviolet Optical Crystal Li₁₃BeBe₆B₉O₂₇

Yi Gang Chen
, Meiling Xing
, Yao Guo
, Zheshuai Lin
, Xiujun Fan
, Xian Ming Zhang

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

Beryllium (Be) has high ionization energy (9.32 eV) with the greatest degree of covalency in the group IIA elements, and BeO₄ tetrahedra (and BeO₃ triangles) with covalent character are generally presented in beryllates. An unprecedented BeO₆ trigonal prism with ultralong Be-O bonds as well as a BeO₄ common tetrahedron is discovered in a new deep ultraviolet crystal Li₁₃BeBe₆B₉O₂₇ (LBeBBO) with a ∞ 2 [Be₆B₉O₃₃] double-layer framework. The BeO₆ unit and its bond character are verified by an isostructural crystal Li₁₃(Mg_0.45Be_0.55)Be₆B₉O₂₇, while the orbital theory and charge density difference further clarify the ionic character of the BeO₆ unit. Phonon dispersion confirms the structural stability of LBeBBO.

Original language	English
Pages (from-to)	2201-2207
Number of pages	7
Journal	Inorganic Chemistry
Volume	58
Issue number	3
DOIs	https://doi.org/10.1021/acs.inorgchem.8b03435
State	Published - 4 Feb 2019
Externally published	Yes

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@article{3172381d670a4649a6be3dfae837bebf,

title = "BeO6 Trigonal Prism with Ultralong Be-O Bonds Observed in a Deep Ultraviolet Optical Crystal Li13BeBe6B9O27 ",

abstract = "Beryllium (Be) has high ionization energy (9.32 eV) with the greatest degree of covalency in the group IIA elements, and BeO4 tetrahedra (and BeO3 triangles) with covalent character are generally presented in beryllates. An unprecedented BeO6 trigonal prism with ultralong Be-O bonds as well as a BeO4 common tetrahedron is discovered in a new deep ultraviolet crystal Li13BeBe6B9O27 (LBeBBO) with a ∞ 2 [Be6B9O33] double-layer framework. The BeO6 unit and its bond character are verified by an isostructural crystal Li13(Mg0.45Be0.55)Be6B9O27, while the orbital theory and charge density difference further clarify the ionic character of the BeO6 unit. Phonon dispersion confirms the structural stability of LBeBBO.",

author = "Chen, \{Yi Gang\} and Meiling Xing and Yao Guo and Zheshuai Lin and Xiujun Fan and Zhang, \{Xian Ming\}",

note = "Publisher Copyright: {\textcopyright} 2019 American Chemical Society.",

year = "2019",

month = feb,

day = "4",

doi = "10.1021/acs.inorgchem.8b03435",

language = "英语",

volume = "58",

pages = "2201--2207",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "3",

}

TY - JOUR

T1 - BeO6 Trigonal Prism with Ultralong Be-O Bonds Observed in a Deep Ultraviolet Optical Crystal Li13BeBe6B9O27

AU - Chen, Yi Gang

AU - Xing, Meiling

AU - Guo, Yao

AU - Lin, Zheshuai

AU - Fan, Xiujun

AU - Zhang, Xian Ming

PY - 2019/2/4

Y1 - 2019/2/4

N2 - Beryllium (Be) has high ionization energy (9.32 eV) with the greatest degree of covalency in the group IIA elements, and BeO4 tetrahedra (and BeO3 triangles) with covalent character are generally presented in beryllates. An unprecedented BeO6 trigonal prism with ultralong Be-O bonds as well as a BeO4 common tetrahedron is discovered in a new deep ultraviolet crystal Li13BeBe6B9O27 (LBeBBO) with a ∞ 2 [Be6B9O33] double-layer framework. The BeO6 unit and its bond character are verified by an isostructural crystal Li13(Mg0.45Be0.55)Be6B9O27, while the orbital theory and charge density difference further clarify the ionic character of the BeO6 unit. Phonon dispersion confirms the structural stability of LBeBBO.

AB - Beryllium (Be) has high ionization energy (9.32 eV) with the greatest degree of covalency in the group IIA elements, and BeO4 tetrahedra (and BeO3 triangles) with covalent character are generally presented in beryllates. An unprecedented BeO6 trigonal prism with ultralong Be-O bonds as well as a BeO4 common tetrahedron is discovered in a new deep ultraviolet crystal Li13BeBe6B9O27 (LBeBBO) with a ∞ 2 [Be6B9O33] double-layer framework. The BeO6 unit and its bond character are verified by an isostructural crystal Li13(Mg0.45Be0.55)Be6B9O27, while the orbital theory and charge density difference further clarify the ionic character of the BeO6 unit. Phonon dispersion confirms the structural stability of LBeBBO.

UR - https://www.scopus.com/pages/publications/85061043971

U2 - 10.1021/acs.inorgchem.8b03435

DO - 10.1021/acs.inorgchem.8b03435

M3 - 文章

C2 - 30666876

AN - SCOPUS:85061043971

SN - 0020-1669

VL - 58

SP - 2201

EP - 2207

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 3

ER -

BeO₆ Trigonal Prism with Ultralong Be-O Bonds Observed in a Deep Ultraviolet Optical Crystal Li₁₃BeBe₆B₉O₂₇

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