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Materials Data on InSb3F18 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/1754134/
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资源简介:
InSb3F18 crystallizes in the trigonal P-3c1 space group. The structure is one-dimensional and consists of one InSb3F18 ribbon oriented in the (0, 0, 1) direction. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent SbF6 octahedra. The corner-sharing octahedral tilt angles are 36°. All In–F bond lengths are 2.13 Å. Sb5+ is bonded to six F1- atoms to form SbF6 octahedra that share corners with two equivalent InF6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of Sb–F bond distances ranging from 1.87–2.06 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one In3+ and one Sb5+ atom.
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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