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Materials Data on Dy3Zn11 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/1753390/
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Dy3Zn11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Zn atoms to form distorted DyZn12 cuboctahedra that share edges with two equivalent ZnDy4Zn8 cuboctahedra and faces with two equivalent DyZn12 cuboctahedra. There are four shorter (3.05 Å) and eight longer (3.28 Å) Dy–Zn bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Dy–Zn bond distances ranging from 3.08–3.47 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Dy and eight Zn atoms to form distorted ZnDy4Zn8 cuboctahedra that share edges with two equivalent DyZn12 cuboctahedra and faces with two equivalent ZnDy4Zn8 cuboctahedra. There are four shorter (2.64 Å) and four longer (2.74 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Dy and eight Zn atoms. There are two shorter (2.59 Å) and four longer (2.87 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to five Dy and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.49–2.71 Å. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to four Dy and six Zn atoms.
提供机构:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间:
2020-12-30
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