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Materials Data on UBeO3 by Materials Project

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DataCite Commons2021-02-04 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1758753/
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资源简介:
BeUO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be2+ is bonded to six equivalent O2- atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent UO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.79 Å. U4+ is bonded to twelve equivalent O2- atoms to form UO12 cuboctahedra that share corners with twelve equivalent UO12 cuboctahedra, faces with six equivalent UO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All U–O bond lengths are 2.53 Å. O2- is bonded in a distorted linear geometry to two equivalent Be2+ and four equivalent U4+ atoms.

BeUO₃具有立方钙钛矿(Cubic Perovskite)结构,结晶于立方晶系Pm-3m空间群。该结构为三维框架结构:Be²+与六个等价的O²-离子成键,形成BeO₆八面体,该八面体与六个等价的BeO₆八面体共享顶角,并与八个等价的UO₁₂立方八面体共享面;八面体顶角倾斜角为0°,所有Be-O键长均为1.79 Å。U⁴+与十二个等价的O²-离子成键,形成UO₁₂立方八面体,该立方八面体与十二个等价的UO₁₂立方八面体共享顶角、与六个等价的UO₁₂立方八面体共享面,并与八个等价的BeO₆八面体共享面;所有U-O键长均为2.53 Å。O²-以畸变直线型几何构型与两个等价的Be²+和四个等价的U⁴+离子成键。
提供机构:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间:
2021-01-15
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