Synthesis, crystal structure and optical properties of a new lithium dilead pentaborate, LiPb2B5O10

Lin Zhou; Shilie Pan; Xin Su; Hongwei Yu; Zhihua Yang; Fangfang Zhang; Zhongxiang Zhou; Shujuan Han

doi:10.1016/j.molstruc.2013.03.007

Synthesis, crystal structure and optical properties of a new lithium dilead pentaborate, LiPb₂B₅O₁₀

Lin Zhou^*
, Shilie Pan
, Xin Su
, Hongwei Yu
, Zhihua Yang
, Fangfang Zhang
, Zhongxiang Zhou
, Shujuan Han

^*Corresponding author for this work

Xinjiang Technical Institute of Physics and Chemistry
University of Chinese Academy of Sciences

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

5 Scopus citations

Abstract

A novel lithium dilead pentaborate compound, LiPb₂B ₅O₁₀, is synthesized by the high temperature solution method for the first time. It crystallizes in the monoclinic space group P2 ₁/m with lattice constants a = 4.4023(10) Å, b = 14.037(3) Å, c = 6.8846(16) Å, β = 107.408(2) and Z = 2. The structure consists of B₅O₁₀ units, LiO₄ and PbO ₇ polyhedra. The B₅O₁₀ unit is composed of three BO₃ triangles and two BO₄ tetrahedra. The IR spectrum further confirms the presence of both BO₃ and BO₄ groups. The calculated band gap via ab initio methods is about 3.433 eV, which is consistent with the experimental result obtained from UV-vis-NIR diffuse reflectance spectrum.

Original language	English
Pages (from-to)	180-183
Number of pages	4
Journal	Journal of Molecular Structure
Volume	1040
DOIs	https://doi.org/10.1016/j.molstruc.2013.03.007
State	Published - 22 May 2013
Externally published	Yes

Keywords

LiPbBO Borate Synthesis Crystal structure

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10.1016/j.molstruc.2013.03.007

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@article{1d6cdfc3d6874408b0e820a08a570f8e,

title = "Synthesis, crystal structure and optical properties of a new lithium dilead pentaborate, LiPb2B5O10",

abstract = "A novel lithium dilead pentaborate compound, LiPb2B 5O10, is synthesized by the high temperature solution method for the first time. It crystallizes in the monoclinic space group P2 1/m with lattice constants a = 4.4023(10) {\AA}, b = 14.037(3) {\AA}, c = 6.8846(16) {\AA}, β = 107.408(2) and Z = 2. The structure consists of B5O10 units, LiO4 and PbO 7 polyhedra. The B5O10 unit is composed of three BO3 triangles and two BO4 tetrahedra. The IR spectrum further confirms the presence of both BO3 and BO4 groups. The calculated band gap via ab initio methods is about 3.433 eV, which is consistent with the experimental result obtained from UV-vis-NIR diffuse reflectance spectrum.",

keywords = "LiPbBO Borate Synthesis Crystal structure",

author = "Lin Zhou and Shilie Pan and Xin Su and Hongwei Yu and Zhihua Yang and Fangfang Zhang and Zhongxiang Zhou and Shujuan Han",

year = "2013",

month = may,

day = "22",

doi = "10.1016/j.molstruc.2013.03.007",

language = "英语",

volume = "1040",

pages = "180--183",

journal = "Journal of Molecular Structure",

issn = "0022-2860",

publisher = "Elsevier B.V.",

}

TY - JOUR

T1 - Synthesis, crystal structure and optical properties of a new lithium dilead pentaborate, LiPb2B5O10

AU - Zhou, Lin

AU - Pan, Shilie

AU - Su, Xin

AU - Yu, Hongwei

AU - Yang, Zhihua

AU - Zhang, Fangfang

AU - Zhou, Zhongxiang

AU - Han, Shujuan

PY - 2013/5/22

Y1 - 2013/5/22

N2 - A novel lithium dilead pentaborate compound, LiPb2B 5O10, is synthesized by the high temperature solution method for the first time. It crystallizes in the monoclinic space group P2 1/m with lattice constants a = 4.4023(10) Å, b = 14.037(3) Å, c = 6.8846(16) Å, β = 107.408(2) and Z = 2. The structure consists of B5O10 units, LiO4 and PbO 7 polyhedra. The B5O10 unit is composed of three BO3 triangles and two BO4 tetrahedra. The IR spectrum further confirms the presence of both BO3 and BO4 groups. The calculated band gap via ab initio methods is about 3.433 eV, which is consistent with the experimental result obtained from UV-vis-NIR diffuse reflectance spectrum.

AB - A novel lithium dilead pentaborate compound, LiPb2B 5O10, is synthesized by the high temperature solution method for the first time. It crystallizes in the monoclinic space group P2 1/m with lattice constants a = 4.4023(10) Å, b = 14.037(3) Å, c = 6.8846(16) Å, β = 107.408(2) and Z = 2. The structure consists of B5O10 units, LiO4 and PbO 7 polyhedra. The B5O10 unit is composed of three BO3 triangles and two BO4 tetrahedra. The IR spectrum further confirms the presence of both BO3 and BO4 groups. The calculated band gap via ab initio methods is about 3.433 eV, which is consistent with the experimental result obtained from UV-vis-NIR diffuse reflectance spectrum.

KW - LiPbBO Borate Synthesis Crystal structure

UR - https://www.scopus.com/pages/publications/84875405029

U2 - 10.1016/j.molstruc.2013.03.007

DO - 10.1016/j.molstruc.2013.03.007

M3 - 文章

AN - SCOPUS:84875405029

SN - 0022-2860

VL - 1040

SP - 180

EP - 183

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

ER -

Synthesis, crystal structure and optical properties of a new lithium dilead pentaborate, LiPb₂B₅O₁₀

Abstract

Keywords

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